N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

C22H26N6O — CID 43816956

IUPACN-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C22H26N6O/c29-20(23-12-9-16-5-2-1-3-6-16)17-10-13-27(14-11-17)21-18-7-4-8-19(18)26-22-24-15-25-28(21)22/h1-3,5-6,15,17H,4,7-14H2,(H,23,29)
InChIKeyBUGAFHGZAUJKGM-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.19
Rot. Bonds5

About N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide

N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (PubChem CID 43816956) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
PubChem CID43816956
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C22H26N6O/c29-20(23-12-9-16-5-2-1-3-6-16)17-10-13-27(14-11-17)21-18-7-4-8-19(18)26-22-24-15-25-28(21)22/h1-3,5-6,15,17H,4,7-14H2,(H,23,29)
InChIKeyBUGAFHGZAUJKGM-UHFFFAOYSA-N
XLogP2.19
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
CID 43816965
N-(4-methylcyclohexyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
CID 24793485
(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 7221296
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 4599447
furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone
CID 3227201
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 42514879
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277458
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22513389
N-(3-acetylphenyl)-1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227330

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide (CID 43816956) is N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
The InChIKey is BUGAFHGZAUJKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-20(23-12-9-16-5-2-1-3-6-16)17-10-13-27(14-11-17)21-18-7-4-8-19(18)26-22-24-15-25-28(21)22/h1-3,5-6,15,17H,4,7-14H2,(H,23,29).
What are the key properties of N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide?
N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 43816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).