N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide

C23H30N2O — CID 41453775

IUPACN-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-19(10-11-20-8-4-2-5-9-20)24-23(26)22-14-12-21(13-15-22)18-25-16-6-3-7-17-25/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16-18H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyIWCBZEPRTKURTH-IBGZPJMESA-N
MW350.51 g/mol
LogP4.42
Rot. Bonds7

About N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide

N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 41453775) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID41453775
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H30N2O/c1-19(10-11-20-8-4-2-5-9-20)24-23(26)22-14-12-21(13-15-22)18-25-16-6-3-7-17-25/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16-18H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyIWCBZEPRTKURTH-IBGZPJMESA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 17200373
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
2-[[4-(azepan-1-ylmethyl)benzoyl]amino]butanedioic acid
CID 119062464
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide (CID 41453775) is N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is IWCBZEPRTKURTH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O/c1-19(10-11-20-8-4-2-5-9-20)24-23(26)22-14-12-21(13-15-22)18-25-16-6-3-7-17-25/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16-18H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 350.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 41453775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).