2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

C19H21N3O2 — CID 95727898

IUPAC2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c20-18(23)12-17-19(24)21-10-11-22(17)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,20,23)(H,21,24)/t17-/m0/s1
InChIKeyYOZQJUQFAKKNLC-KRWDZBQOSA-N
MW323.40 g/mol
LogP1.53
Rot. Bonds5

About 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 95727898) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID95727898
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c20-18(23)12-17-19(24)21-10-11-22(17)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,20,23)(H,21,24)/t17-/m0/s1
InChIKeyYOZQJUQFAKKNLC-KRWDZBQOSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
CID 42392537
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
2-[1-[[4-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115525652
2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 29026246
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (CID 95727898) is 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is YOZQJUQFAKKNLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-18(23)12-17-19(24)21-10-11-22(17)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H2,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 95727898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).