(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide

C19H27ClN4O — CID 41084085

IUPAC(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-8-10-24(11-9-23)17-7-5-6-16(20)12-17/h5-7,12,14-15H,8-11H2,1-4H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyDKXPNVGCKAHLRS-DNVCBOLYSA-N
MW362.91 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide (PubChem CID 41084085) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
PubChem CID41084085
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H27ClN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-8-10-24(11-9-23)17-7-5-6-16(20)12-17/h5-7,12,14-15H,8-11H2,1-4H3,(H,22,25)/t15-,19-/m1/s1
InChIKeyDKXPNVGCKAHLRS-DNVCBOLYSA-N
XLogP2.90
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide with MolForge

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Related Compounds

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 41016004
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9293406
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide (CID 41084085) is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide is CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
The InChIKey is DKXPNVGCKAHLRS-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-8-10-24(11-9-23)17-7-5-6-16(20)12-17/h5-7,12,14-15H,8-11H2,1-4H3,(H,22,25)/t15-,19-/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide?
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide has a molecular weight of 362.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 41084085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).