2-phenyl-N-(piperazin-2-ylmethyl)acetamide

C13H19N3O — CID 151558064

IUPAC2-phenyl-N-(piperazin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)NCC1CNCCN1
InChIInChI=1S/C13H19N3O/c17-13(8-11-4-2-1-3-5-11)16-10-12-9-14-6-7-15-12/h1-5,12,14-15H,6-10H2,(H,16,17)
InChIKeyQBXAXWQWVJIIAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.09
Rot. Bonds4

About 2-phenyl-N-(piperazin-2-ylmethyl)acetamide

2-phenyl-N-(piperazin-2-ylmethyl)acetamide (PubChem CID 151558064) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenyl-N-(piperazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(piperazin-2-ylmethyl)acetamide
PubChem CID151558064
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-phenyl-N-(piperazin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1)NCC1CNCCN1
InChIInChI=1S/C13H19N3O/c17-13(8-11-4-2-1-3-5-11)16-10-12-9-14-6-7-15-12/h1-5,12,14-15H,6-10H2,(H,16,17)
InChIKeyQBXAXWQWVJIIAN-UHFFFAOYSA-N
XLogP-0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-benzyl-1-(1,4,7,10-tetrazacyclotridec-5-yl)methanamine
CID 46191915
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
CID 101060490
benzyl 3-phenyl-3-[[(2S)-piperazin-2-yl]methylamino]propanoate
CID 155097830
2-(2-phenylethyl)piperazine;dihydrochloride
CID 67602755
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
CID 14839584
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperazin-2-ylmethyl)acetamide?
The IUPAC name of 2-phenyl-N-(piperazin-2-ylmethyl)acetamide (CID 151558064) is 2-phenyl-N-(piperazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(piperazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-phenyl-N-(piperazin-2-ylmethyl)acetamide is O=C(Cc1ccccc1)NCC1CNCCN1.
What is the InChIKey of 2-phenyl-N-(piperazin-2-ylmethyl)acetamide?
The InChIKey is QBXAXWQWVJIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(8-11-4-2-1-3-5-11)16-10-12-9-14-6-7-15-12/h1-5,12,14-15H,6-10H2,(H,16,17).
What are the key properties of 2-phenyl-N-(piperazin-2-ylmethyl)acetamide?
2-phenyl-N-(piperazin-2-ylmethyl)acetamide has a molecular weight of 233.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperazin-2-ylmethyl)acetamide is sourced from PubChem (CID 151558064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).