(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide

C21H27N3O — CID 1439178

IUPAC(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C21H27N3O/c1-17(24-15-13-23(2)14-16-24)21(25)22-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyYEVQQPCVAWPGDN-KRWDZBQOSA-N
MW337.47 g/mol
LogP2.53
Rot. Bonds5

About (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide

(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 1439178) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID1439178
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C21H27N3O/c1-17(24-15-13-23(2)14-16-24)21(25)22-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyYEVQQPCVAWPGDN-KRWDZBQOSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(2R)-N-benzhydryl-2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propanamide
CID 30622027
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(2S)-N-benzhydryl-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 30625205
(2S)-N-benzhydryl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30955884
N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide (CID 1439178) is (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide is C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is YEVQQPCVAWPGDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17(24-15-13-23(2)14-16-24)21(25)22-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide?
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 1439178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).