N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide

C28H32N6O3 — CID 177162771

IUPACN-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
SMILESO=C(Cn1c2c(c(=O)n3nc(C4=CCOCC4)nc13)C1(CCNCC1)CC2)Nc1ccc(C2CC2)cc1
InChIInChI=1S/C28H32N6O3/c35-23(30-21-5-3-19(4-6-21)18-1-2-18)17-33-22-7-10-28(11-13-29-14-12-28)24(22)26(36)34-27(33)31-25(32-34)20-8-15-37-16-9-20/h3-6,8,18,29H,1-2,7,9-17H2,(H,30,35)
InChIKeyRQTNKATYKVXOTI-UHFFFAOYSA-N
MW500.60 g/mol
LogP2.78
Rot. Bonds5

About N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide

N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide (PubChem CID 177162771) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
PubChem CID177162771
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC NameN-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
SMILESO=C(Cn1c2c(c(=O)n3nc(C4=CCOCC4)nc13)C1(CCNCC1)CC2)Nc1ccc(C2CC2)cc1
InChIInChI=1S/C28H32N6O3/c35-23(30-21-5-3-19(4-6-21)18-1-2-18)17-33-22-7-10-28(11-13-29-14-12-28)24(22)26(36)34-27(33)31-25(32-34)20-8-15-37-16-9-20/h3-6,8,18,29H,1-2,7,9-17H2,(H,30,35)
InChIKeyRQTNKATYKVXOTI-UHFFFAOYSA-N
XLogP2.78
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide with MolForge

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Related Compounds

N-[2-chloro-4-(1-fluorocyclopropyl)phenyl]-2-[(10S,12R)-5-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[3,4,6,8-tetrazatetracyclo[7.4.0.03,7.010,12]trideca-1(9),4,6-triene-13,4'-piperidine]-8-yl]acetamide
CID 177162600
2-[1'-benzoyl-11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 176830226
tert-butyl 4-[2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-7-oxo-4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]piperidine-1-carboxylate
CID 166141045
N-(2,4-dichlorophenyl)-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-7-oxo-6-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 166140438
tert-butyl (6S)-8-[2-[2-chloro-4-(2,2-difluorocyclopropyl)anilino]-2-oxoethyl]-11-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-1'-carboxylate
CID 177162442
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-5,6-dimethyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 177322549
2-[6-[4-(3-cyano-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171623048
N-[2-[8-[2-(4-cyclopropyl-2-fluoroanilino)-2-oxoethyl]-11-(3,6-dihydro-2H-pyran-4-yl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-4-yl]cyclobutyl]-N-ethyl-5-hydroxy-6-methylpyrimidine-4-carboxamide
CID 177163064
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)-1'-(3-hydroxypyridine-2-carbonyl)-9-oxospiro[6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazoline-8,3'-pyrrolidine]-4-yl]acetamide
CID 176830054
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[11-(3,6-dihydro-2H-pyran-4-yl)-3'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,8'-3-azabicyclo[3.2.1]octane]-8-yl]acetamide
CID 177162815
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,5'-2-azabicyclo[4.2.0]octane]-8-yl]acetamide
CID 177162165
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[11-[1-(3-methyloxetane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-oxospiro[5-oxa-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide
CID 177162466

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide?
The IUPAC name of N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide (CID 177162771) is N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide.
What is the SMILES notation for N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide?
The canonical SMILES for N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide is O=C(Cn1c2c(c(=O)n3nc(C4=CCOCC4)nc13)C1(CCNCC1)CC2)Nc1ccc(C2CC2)cc1.
What is the InChIKey of N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide?
The InChIKey is RQTNKATYKVXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c35-23(30-21-5-3-19(4-6-21)18-1-2-18)17-33-22-7-10-28(11-13-29-14-12-28)24(22)26(36)34-27(33)31-25(32-34)20-8-15-37-16-9-20/h3-6,8,18,29H,1-2,7,9-17H2,(H,30,35).
What are the key properties of N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide?
N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylphenyl)-2-[11-(3,6-dihydro-2H-pyran-4-yl)-2-oxospiro[1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-4,4'-piperidine]-8-yl]acetamide is sourced from PubChem (CID 177162771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).