1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C21H32N4O2 — CID 154800157

IUPAC1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-23-14-16-24(17-15-23)13-10-22-20(26)18-8-11-25(12-9-18)21(27)19-6-4-3-5-7-19/h3-7,18H,2,8-17H2,1H3,(H,22,26)
InChIKeyMOPXYNZZGZJFQR-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.29
Rot. Bonds6

About 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 154800157) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID154800157
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N4O2/c1-2-23-14-16-24(17-15-23)13-10-22-20(26)18-8-11-25(12-9-18)21(27)19-6-4-3-5-7-19/h3-7,18H,2,8-17H2,1H3,(H,22,26)
InChIKeyMOPXYNZZGZJFQR-UHFFFAOYSA-N
XLogP1.29
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119447778
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-benzoyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
CID 71998614
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-benzoyl-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 110301812

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 154800157) is 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is CCN1CCN(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MOPXYNZZGZJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-2-23-14-16-24(17-15-23)13-10-22-20(26)18-8-11-25(12-9-18)21(27)19-6-4-3-5-7-19/h3-7,18H,2,8-17H2,1H3,(H,22,26).
What are the key properties of 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 154800157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).