4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

C19H26N4O3 — CID 50831198

IUPAC4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(21-10-6-1-2-7-11-21)14-22-12-13-23(15-18(22)25)19(26)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,20,26)
InChIKeyABTKGFAIHWXOOA-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.77
Rot. Bonds3

About 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 50831198) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID50831198
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCCCC1
InChIInChI=1S/C19H26N4O3/c24-17(21-10-6-1-2-7-11-21)14-22-12-13-23(15-18(22)25)19(26)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,20,26)
InChIKeyABTKGFAIHWXOOA-UHFFFAOYSA-N
XLogP1.77
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 50831233
N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831289
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094213
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
4-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-N-(4-chlorophenyl)-3-oxopiperazine-1-carboxamide
CID 50831187
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832820
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (CID 50831198) is 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCCCC1.
What is the InChIKey of 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is ABTKGFAIHWXOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(21-10-6-1-2-7-11-21)14-22-12-13-23(15-18(22)25)19(26)20-16-8-4-3-5-9-16/h3-5,8-9H,1-2,6-7,10-15H2,(H,20,26).
What are the key properties of 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 50831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).