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

C19H27FN4O — CID 41016004

IUPAC(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-9-11-24(12-10-23)17-7-5-16(20)6-8-17/h5-8,14-15H,9-12H2,1-4H3,(H,22,25)/t15-,19+/m1/s1
InChIKeyDPFWMRCVNMZJNM-BEFAXECRSA-N
MW346.45 g/mol
LogP2.39
Rot. Bonds5

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

(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 41016004) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID41016004
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-9-11-24(12-10-23)17-7-5-16(20)6-8-17/h5-8,14-15H,9-12H2,1-4H3,(H,22,25)/t15-,19+/m1/s1
InChIKeyDPFWMRCVNMZJNM-BEFAXECRSA-N
XLogP2.39
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.39
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-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)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 41084085
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431545
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9293406

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 41016004) is (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is DPFWMRCVNMZJNM-BEFAXECRSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-14(2)19(4,13-21)22-18(25)15(3)23-9-11-24(12-10-23)17-7-5-16(20)6-8-17/h5-8,14-15H,9-12H2,1-4H3,(H,22,25)/t15-,19+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.39, 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-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 41016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).