N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide

C15H20N4O — CID 171306857

IUPACN-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](CC#N)N2CCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(20)18-14-4-2-13(3-5-14)15(6-7-16)19-10-8-17-9-11-19/h2-5,15,17H,6,8-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyHYZVLBLPQHDXOR-OAHLLOKOSA-N
MW272.35 g/mol
LogP1.50
Rot. Bonds4

About N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide

N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide (PubChem CID 171306857) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
PubChem CID171306857
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](CC#N)N2CCNCC2)cc1
InChIInChI=1S/C15H20N4O/c1-12(20)18-14-4-2-13(3-5-14)15(6-7-16)19-10-8-17-9-11-19/h2-5,15,17H,6,8-11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyHYZVLBLPQHDXOR-OAHLLOKOSA-N
XLogP1.50
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl] acetate;dihydrochloride
CID 171306974
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
CID 171303739
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306546
(3R)-3-(4-bromophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306575
(3S)-3-[4-(benzylamino)phenyl]-3-piperazin-1-ylpropanenitrile
CID 171305908
(3S)-3-[4-(benzylamino)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305909
N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 171291177
[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]-2-methoxyphenyl] acetate
CID 171307016
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3S)-3-(4-ethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305873
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide (CID 171306857) is N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H](CC#N)N2CCNCC2)cc1.
What is the InChIKey of N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide?
The InChIKey is HYZVLBLPQHDXOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(20)18-14-4-2-13(3-5-14)15(6-7-16)19-10-8-17-9-11-19/h2-5,15,17H,6,8-11H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide?
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide is sourced from PubChem (CID 171306857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).