4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide

C19H26N4O3 — CID 32693348

IUPAC4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c20-18(25)15-4-6-16(7-5-15)19(26)23-12-10-21(11-13-23)14-17(24)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H2,20,25)
InChIKeyJLHDFGPKOPRWQL-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.56
Rot. Bonds4

About 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide

4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide (PubChem CID 32693348) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
PubChem CID32693348
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c20-18(25)15-4-6-16(7-5-15)19(26)23-12-10-21(11-13-23)14-17(24)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H2,20,25)
InChIKeyJLHDFGPKOPRWQL-UHFFFAOYSA-N
XLogP0.56
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
CID 43521327
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999273
2-[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999412
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
1-piperidin-1-yl-2-[4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-1-yl]ethanone
CID 72935900
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide (CID 32693348) is 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide?
The InChIKey is JLHDFGPKOPRWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-18(25)15-4-6-16(7-5-15)19(26)23-12-10-21(11-13-23)14-17(24)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H2,20,25).
What are the key properties of 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide?
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 32693348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).