N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C23H29N3OS — CID 97375799

IUPACN-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C23H29N3OS/c27-21(25-15-17-5-6-17)13-18-14-23(20-4-2-1-3-19(18)20)7-10-26(11-8-23)16-22-24-9-12-28-22/h1-4,9,12,17-18H,5-8,10-11,13-16H2,(H,25,27)/t18-/m0/s1
InChIKeyJCJITFMSJHMJHD-SFHVURJKSA-N
MW395.57 g/mol
LogP4.08
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375799) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375799
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC NameN-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C23H29N3OS/c27-21(25-15-17-5-6-17)13-18-14-23(20-4-2-1-3-19(18)20)7-10-26(11-8-23)16-22-24-9-12-28-22/h1-4,9,12,17-18H,5-8,10-11,13-16H2,(H,25,27)/t18-/m0/s1
InChIKeyJCJITFMSJHMJHD-SFHVURJKSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375807
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
N-(cyclopropylmethyl)-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131645925
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802
N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376154
N-(cyclopropylmethyl)-2-[1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155829419
N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131651674
N-(cyclopropylmethyl)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetamide
CID 118740888
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
N-cyclopropyl-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662516
N-methyl-2-[1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657425

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375799) is N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(C[C@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is JCJITFMSJHMJHD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3OS/c27-21(25-15-17-5-6-17)13-18-14-23(20-4-2-1-3-19(18)20)7-10-26(11-8-23)16-22-24-9-12-28-22/h1-4,9,12,17-18H,5-8,10-11,13-16H2,(H,25,27)/t18-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).