2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

C25H33N3O2 — CID 93291034

IUPAC2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H33N3O2/c1-4-18(2)17-26-24(29)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-25(30)21-10-6-5-9-19(21)3/h5-12,18,20H,4,13-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyGTLUXAMFQSSPPT-GOSISDBHSA-N
MW407.56 g/mol
LogP4.17
Rot. Bonds7

About 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (PubChem CID 93291034) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
PubChem CID93291034
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
SMILESCC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H33N3O2/c1-4-18(2)17-26-24(29)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-25(30)21-10-6-5-9-19(21)3/h5-12,18,20H,4,13-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyGTLUXAMFQSSPPT-GOSISDBHSA-N
XLogP4.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
N-[1-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037507
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide (CID 93291034) is 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
The InChIKey is GTLUXAMFQSSPPT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-18(2)17-26-24(29)22-11-7-8-12-23(22)28-15-13-20(14-16-28)27-25(30)21-10-6-5-9-19(21)3/h5-12,18,20H,4,13-17H2,1-3H3,(H,26,29)(H,27,30)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.17, 7 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-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 93291034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).