1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide

C19H27N3O2 — CID 715754

IUPAC1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-7-3-4-8-16(15)17(23)21-13-9-19(10-14-21,18(20)24)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,24)
InChIKeyHXVFQCYJZYFTMP-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide

1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 715754) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID715754
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-7-3-4-8-16(15)17(23)21-13-9-19(10-14-21,18(20)24)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,24)
InChIKeyHXVFQCYJZYFTMP-UHFFFAOYSA-N
XLogP1.94
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807438
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057936
(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936838
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 715754) is 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is HXVFQCYJZYFTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-7-3-4-8-16(15)17(23)21-13-9-19(10-14-21,18(20)24)22-11-5-2-6-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,24).
What are the key properties of 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 715754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).