2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

C25H31N3O2 — CID 46038031

IUPAC2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H31N3O2/c1-19-9-3-4-10-21(19)24(29)26-20-13-17-27(18-14-20)23-12-6-5-11-22(23)25(30)28-15-7-2-8-16-28/h3-6,9-12,20H,2,7-8,13-18H2,1H3,(H,26,29)
InChIKeyOZUYIXNYNQWLKB-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.02
Rot. Bonds4

About 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46038031) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46038031
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H31N3O2/c1-19-9-3-4-10-21(19)24(29)26-20-13-17-27(18-14-20)23-12-6-5-11-22(23)25(30)28-15-7-2-8-16-28/h3-6,9-12,20H,2,7-8,13-18H2,1H3,(H,26,29)
InChIKeyOZUYIXNYNQWLKB-UHFFFAOYSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide (CID 46038031) is 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is OZUYIXNYNQWLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-9-3-4-10-21(19)24(29)26-20-13-17-27(18-14-20)23-12-6-5-11-22(23)25(30)28-15-7-2-8-16-28/h3-6,9-12,20H,2,7-8,13-18H2,1H3,(H,26,29).
What are the key properties of 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46038031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).