(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide

C19H28N4O — CID 41084376

IUPAC(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(2)19(4,14-20)21-18(24)16(3)22-10-12-23(13-11-22)17-8-6-5-7-9-17/h5-9,15-16H,10-13H2,1-4H3,(H,21,24)/t16-,19+/m1/s1
InChIKeyFWXQHJDHTPKWGC-APWZRJJASA-N
MW328.46 g/mol
LogP2.25
Rot. Bonds5

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

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 41084376) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID41084376
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(2)19(4,14-20)21-18(24)16(3)22-10-12-23(13-11-22)17-8-6-5-7-9-17/h5-9,15-16H,10-13H2,1-4H3,(H,21,24)/t16-,19+/m1/s1
InChIKeyFWXQHJDHTPKWGC-APWZRJJASA-N
XLogP2.25
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 41016004
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 41084085
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9293406
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
N-(2-cyano-3-methylbutan-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 46804829
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24534624

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide (CID 41084376) is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is FWXQHJDHTPKWGC-APWZRJJASA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)19(4,14-20)21-18(24)16(3)22-10-12-23(13-11-22)17-8-6-5-7-9-17/h5-9,15-16H,10-13H2,1-4H3,(H,21,24)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide?
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 41084376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).