(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide

C24H30N4O — CID 9399043

IUPAC(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-3-27(19-22-7-5-4-6-8-22)24(29)20(2)28-15-13-26(14-16-28)18-23-11-9-21(17-25)10-12-23/h4-12,20H,3,13-16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyMTXRNPHGPYLHBH-FQEVSTJZSA-N
MW390.53 g/mol
LogP3.11
Rot. Bonds7

About (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide

(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide (PubChem CID 9399043) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
PubChem CID9399043
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H30N4O/c1-3-27(19-22-7-5-4-6-8-22)24(29)20(2)28-15-13-26(14-16-28)18-23-11-9-21(17-25)10-12-23/h4-12,20H,3,13-16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyMTXRNPHGPYLHBH-FQEVSTJZSA-N
XLogP3.11
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 9357237
N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
CID 55432712
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
4-[[4-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperazin-1-yl]methyl]benzonitrile
CID 55525037
N-benzyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 84591484
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
N-benzyl-N-ethyl-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
CID 78833941
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide (CID 9399043) is (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide?
The InChIKey is MTXRNPHGPYLHBH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-27(19-22-7-5-4-6-8-22)24(29)20(2)28-15-13-26(14-16-28)18-23-11-9-21(17-25)10-12-23/h4-12,20H,3,13-16,18-19H2,1-2H3/t20-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide?
(2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide has a molecular weight of 390.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 9399043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).