(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide

C21H23ClN4O — CID 9389720

IUPAC(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c1-16(21(27)24-20-4-2-3-18(13-20)14-23)26-11-9-25(10-12-26)15-17-5-7-19(22)8-6-17/h2-8,13,16H,9-12,15H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyIHNVCFLMIOKWBH-MRXNPFEDSA-N
MW382.90 g/mol
LogP3.36
Rot. Bonds5

About (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide

(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide (PubChem CID 9389720) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
PubChem CID9389720
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O/c1-16(21(27)24-20-4-2-3-18(13-20)14-23)26-11-9-25(10-12-26)15-17-5-7-19(22)8-6-17/h2-8,13,16H,9-12,15H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyIHNVCFLMIOKWBH-MRXNPFEDSA-N
XLogP3.36
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55355629
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258738
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)acetamide
CID 55362309
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide
CID 2654990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide (CID 9389720) is (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide is C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide?
The InChIKey is IHNVCFLMIOKWBH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-16(21(27)24-20-4-2-3-18(13-20)14-23)26-11-9-25(10-12-26)15-17-5-7-19(22)8-6-17/h2-8,13,16H,9-12,15H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide?
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide has a molecular weight of 382.90 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 9389720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).