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

C19H27N3O2 — CID 75429835

IUPACN-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)C2Cc3ccccc3CN2)CC1
InChIInChI=1S/C19H27N3O2/c1-13(2)21-18(23)14-7-9-22(10-8-14)19(24)17-11-15-5-3-4-6-16(15)12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,21,23)
InChIKeyRNJJOCYRQJWPHV-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.46
Rot. Bonds3

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

N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide (PubChem CID 75429835) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
PubChem CID75429835
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C(=O)C2Cc3ccccc3CN2)CC1
InChIInChI=1S/C19H27N3O2/c1-13(2)21-18(23)14-7-9-22(10-8-14)19(24)17-11-15-5-3-4-6-16(15)12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,21,23)
InChIKeyRNJJOCYRQJWPHV-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119275566
N-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 119275567
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
N-(4-propan-2-ylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
CID 4911605
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119275336
N-[(2-methoxyphenyl)methyl]-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 52995155
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076
piperazin-1-yl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 93101281
1,2,3,4-tetrahydroisoquinolin-3-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 119280550

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide (CID 75429835) is N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C(=O)C2Cc3ccccc3CN2)CC1.
What is the InChIKey of N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is RNJJOCYRQJWPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(2)21-18(23)14-7-9-22(10-8-14)19(24)17-11-15-5-3-4-6-16(15)12-20-17/h3-6,13-14,17,20H,7-12H2,1-2H3,(H,21,23).
What are the key properties of N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide?
N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 75429835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).