2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide

C25H33N3O2 — CID 46037808

IUPAC2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C25H33N3O2/c1-17(2)19(4)26-25(30)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-24(29)21-10-6-5-9-18(21)3/h5-12,17,19-20H,13-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyOJCWAZCCIZKPNV-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46037808) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
PubChem CID46037808
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C25H33N3O2/c1-17(2)19(4)26-25(30)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-24(29)21-10-6-5-9-18(21)3/h5-12,17,19-20H,13-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyOJCWAZCCIZKPNV-UHFFFAOYSA-N
XLogP4.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide (CID 46037808) is 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NC(C)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is OJCWAZCCIZKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17(2)19(4)26-25(30)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-24(29)21-10-6-5-9-18(21)3/h5-12,17,19-20H,13-16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46037808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).