N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C15H20N4O — CID 82755602

IUPACN-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H20N4O/c1-12-10-17-8-9-19(12)11-15(20)18-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyMVBDDCFDOWAIAK-LBPRGKRZSA-N
MW272.35 g/mol
LogP0.98
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82755602) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82755602
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H20N4O/c1-12-10-17-8-9-19(12)11-15(20)18-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyMVBDDCFDOWAIAK-LBPRGKRZSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671387
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
N-[4-(cyanomethyl)phenyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9034213
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82755602) is N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is MVBDDCFDOWAIAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-10-17-8-9-19(12)11-15(20)18-14-4-2-13(3-5-14)6-7-16/h2-5,12,17H,6,8-11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82755602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).