N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide

C22H31N3O2 — CID 42395399

IUPACN-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)c1
InChIInChI=1S/C22H31N3O2/c1-16-3-2-4-18(15-16)22(27)25-13-9-20(10-14-25)24-11-7-17(8-12-24)21(26)23-19-5-6-19/h2-4,15,17,19-20H,5-14H2,1H3,(H,23,26)
InChIKeyJHZQYKSTAKNEOI-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42395399) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42395399
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)c1
InChIInChI=1S/C22H31N3O2/c1-16-3-2-4-18(15-16)22(27)25-13-9-20(10-14-25)24-11-7-17(8-12-24)21(26)23-19-5-6-19/h2-4,15,17,19-20H,5-14H2,1H3,(H,23,26)
InChIKeyJHZQYKSTAKNEOI-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
N-(1-cyclopropylpiperidin-4-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 128926637
N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974015
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42395399) is N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is JHZQYKSTAKNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16-3-2-4-18(15-16)22(27)25-13-9-20(10-14-25)24-11-7-17(8-12-24)21(26)23-19-5-6-19/h2-4,15,17,19-20H,5-14H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42395399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).