1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide

C24H29N3O3 — CID 131917959

IUPAC1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C24H29N3O3/c1-4-22(28)25-19-10-9-17(3)21(15-19)26-23(29)18-11-13-27(14-12-18)24(30)20-8-6-5-7-16(20)2/h5-10,15,18H,4,11-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGTBCTBWRTGUBPX-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 131917959) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID131917959
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C24H29N3O3/c1-4-22(28)25-19-10-9-17(3)21(15-19)26-23(29)18-11-13-27(14-12-18)24(30)20-8-6-5-7-16(20)2/h5-10,15,18H,4,11-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGTBCTBWRTGUBPX-UHFFFAOYSA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 4301255
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 131917959) is 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is GTBCTBWRTGUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-22(28)25-19-10-9-17(3)21(15-19)26-23(29)18-11-13-27(14-12-18)24(30)20-8-6-5-7-16(20)2/h5-10,15,18H,4,11-14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 131917959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).