1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

C21H32ClN3O2 — CID 119532515

IUPAC1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C1CCNC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-3-12-24(19-10-11-22-14-19)21(26)18-5-4-13-23(15-18)20(25)17-8-6-16(2)7-9-17;/h6-9,18-19,22H,3-5,10-15H2,1-2H3;1H
InChIKeyCOJQBSOMRCTCDK-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119532515) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119532515
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C1CCNC1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-3-12-24(19-10-11-22-14-19)21(26)18-5-4-13-23(15-18)20(25)17-8-6-16(2)7-9-17;/h6-9,18-19,22H,3-5,10-15H2,1-2H3;1H
InChIKeyCOJQBSOMRCTCDK-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 119823569
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119824032
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 120948550

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119532515) is 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is CCCN(C(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)C1CCNC1.Cl.
What is the InChIKey of 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is COJQBSOMRCTCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-3-12-24(19-10-11-22-14-19)21(26)18-5-4-13-23(15-18)20(25)17-8-6-16(2)7-9-17;/h6-9,18-19,22H,3-5,10-15H2,1-2H3;1H.
What are the key properties of 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119532515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).