N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide

C22H31N3O3 — CID 136524002

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-16-3-5-19(6-4-16)21(27)20-9-13-25(14-10-20)22(28)23-15-18-7-11-24(12-8-18)17(2)26/h3-6,18,20H,7-15H2,1-2H3,(H,23,28)
InChIKeyCLAQUBIWSUDSTQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.86
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide (PubChem CID 136524002) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
PubChem CID136524002
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O3/c1-16-3-5-19(6-4-16)21(27)20-9-13-25(14-10-20)22(28)23-15-18-7-11-24(12-8-18)17(2)26/h3-6,18,20H,7-15H2,1-2H3,(H,23,28)
InChIKeyCLAQUBIWSUDSTQ-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
3-hydroxy-4-methoxy-3-methyl-1-[4-(4-methylbenzoyl)piperidin-1-yl]butan-1-one
CID 167852658
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
CID 102736682
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide (CID 136524002) is N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide is CC(=O)N1CCC(CNC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide?
The InChIKey is CLAQUBIWSUDSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-3-5-19(6-4-16)21(27)20-9-13-25(14-10-20)22(28)23-15-18-7-11-24(12-8-18)17(2)26/h3-6,18,20H,7-15H2,1-2H3,(H,23,28).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 136524002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).