4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide

C24H32N2O — CID 99939718

IUPAC4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)C1
InChIInChI=1S/C24H32N2O/c1-19-7-6-16-26(17-19)18-22-12-14-23(15-13-22)24(27)25-20(2)10-11-21-8-4-3-5-9-21/h3-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-2H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyARADLAYSKOKUOL-WOJBJXKFSA-N
MW364.53 g/mol
LogP4.67
Rot. Bonds7

About 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide

4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 99939718) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID99939718
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)C1
InChIInChI=1S/C24H32N2O/c1-19-7-6-16-26(17-19)18-22-12-14-23(15-13-22)24(27)25-20(2)10-11-21-8-4-3-5-9-21/h3-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-2H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyARADLAYSKOKUOL-WOJBJXKFSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46765429
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 17200373
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633
1-benzyl-3-methylpiperidine
CID 2794856
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
N-(2,6-dimethylphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490404
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 99939718) is 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide is C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)C1.
What is the InChIKey of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is ARADLAYSKOKUOL-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H32N2O/c1-19-7-6-16-26(17-19)18-22-12-14-23(15-13-22)24(27)25-20(2)10-11-21-8-4-3-5-9-21/h3-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-2H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide?
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 364.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 99939718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).