(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

C23H32N2O2 — CID 95792355

IUPAC(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2
InChIInChI=1S/C23H32N2O2/c1-2-16-24-21(26)20-18-12-6-7-13-19(18)22(27)25(17-10-4-5-11-17)23(20)14-8-3-9-15-23/h6-7,12-13,17,20H,2-5,8-11,14-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyMWJWKHJHXONNTA-HXUWFJFHSA-N
MW368.52 g/mol
LogP4.40
Rot. Bonds4

About (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (PubChem CID 95792355) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
PubChem CID95792355
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2
InChIInChI=1S/C23H32N2O2/c1-2-16-24-21(26)20-18-12-6-7-13-19(18)22(27)25(17-10-4-5-11-17)23(20)14-8-3-9-15-23/h6-7,12-13,17,20H,2-5,8-11,14-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyMWJWKHJHXONNTA-HXUWFJFHSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652384
2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51053374
2-cyclopentyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45370813
N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45370337
(4R)-2-[(2R)-butan-2-yl]-N-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 95369838
(4R)-N-(3-ethoxypropyl)-2-(2-methylpropyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 95859808
N-(3-methylbutyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45495444
(4S)-N,2-bis(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39352789
N-(2-methoxyethyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45493765
methyl 3-[[2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]amino]propanoate
CID 42652018
(4R)-2-benzyl-N-(3-ethoxypropyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 95859219
2-cyclopropyl-1'-methyl-1-oxospiro[4H-isoquinoline-3,4'-piperidine]-4-carboxylic acid
CID 110457653

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The IUPAC name of (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (CID 95792355) is (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.
What is the SMILES notation for (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The canonical SMILES for (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2.
What is the InChIKey of (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The InChIKey is MWJWKHJHXONNTA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-2-16-24-21(26)20-18-12-6-7-13-19(18)22(27)25(17-10-4-5-11-17)23(20)14-8-3-9-15-23/h6-7,12-13,17,20H,2-5,8-11,14-16H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
(4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopentyl-1-oxo-N-propylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is sourced from PubChem (CID 95792355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).