N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide

C25H31N3O2 — CID 4911605

IUPACN-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)C3Cc4ccccc4CN3)CC2)cc1
InChIInChI=1S/C25H31N3O2/c1-17(2)18-7-9-22(10-8-18)27-24(29)19-11-13-28(14-12-19)25(30)23-15-20-5-3-4-6-21(20)16-26-23/h3-10,17,19,23,26H,11-16H2,1-2H3,(H,27,29)
InChIKeyJPUSPCZMAFUGHR-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.70
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide

N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide (PubChem CID 4911605) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
PubChem CID4911605
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)C3Cc4ccccc4CN3)CC2)cc1
InChIInChI=1S/C25H31N3O2/c1-17(2)18-7-9-22(10-8-18)27-24(29)19-11-13-28(14-12-19)25(30)23-15-20-5-3-4-6-21(20)16-26-23/h3-10,17,19,23,26H,11-16H2,1-2H3,(H,27,29)
InChIKeyJPUSPCZMAFUGHR-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
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
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119275336

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide (CID 4911605) is N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(C(=O)C3Cc4ccccc4CN3)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is JPUSPCZMAFUGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)18-7-9-22(10-8-18)27-24(29)19-11-13-28(14-12-19)25(30)23-15-20-5-3-4-6-21(20)16-26-23/h3-10,17,19,23,26H,11-16H2,1-2H3,(H,27,29).
What are the key properties of N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 4911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).