4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

C20H23N3O3 — CID 108988713

IUPAC4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-16(24)22-11-13-23(14-12-22)20(25)21-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyWZDLXRIIDCOCCW-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.96
Rot. Bonds4

About 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (PubChem CID 108988713) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
PubChem CID108988713
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-16(24)22-11-13-23(14-12-22)20(25)21-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,25)
InChIKeyWZDLXRIIDCOCCW-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 58462419
4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 7189487
3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
CID 108944636
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
3-(4-phenylmethoxyanilino)but-2-enoic acid
CID 154014909
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 20787792
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (CID 108988713) is 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WZDLXRIIDCOCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-16(24)22-11-13-23(14-12-22)20(25)21-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,21,25).
What are the key properties of 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).