N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide

C21H29N3O2 — CID 40870441

IUPACN-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(23-18-7-3-4-8-18)15-9-11-24(12-10-15)21(26)19-13-16-5-1-2-6-17(16)14-22-19/h1-2,5-6,15,18-19,22H,3-4,7-14H2,(H,23,25)/t19-/m1/s1
InChIKeyPGBXRSXBQDLSQR-LJQANCHMSA-N
MW355.48 g/mol
LogP2.00
Rot. Bonds3

About N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide

N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide (PubChem CID 40870441) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
PubChem CID40870441
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(23-18-7-3-4-8-18)15-9-11-24(12-10-15)21(26)19-13-16-5-1-2-6-17(16)14-22-19/h1-2,5-6,15,18-19,22H,3-4,7-14H2,(H,23,25)/t19-/m1/s1
InChIKeyPGBXRSXBQDLSQR-LJQANCHMSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 75429835
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 119275567
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119275566
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
N-cyclopentyl-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide
CID 7554506
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 4911605
N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667822
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide (CID 40870441) is N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1.
What is the InChIKey of N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is PGBXRSXBQDLSQR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(23-18-7-3-4-8-18)15-9-11-24(12-10-15)21(26)19-13-16-5-1-2-6-17(16)14-22-19/h1-2,5-6,15,18-19,22H,3-4,7-14H2,(H,23,25)/t19-/m1/s1.
What are the key properties of N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 40870441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).