4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

C27H37N5O2 — CID 52998801

IUPAC4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N5O2/c33-26(21-23-11-14-32(15-12-23)27(34)29-25-9-5-2-6-10-25)28-13-16-30-17-19-31(20-18-30)22-24-7-3-1-4-8-24/h1-10,23H,11-22H2,(H,28,33)(H,29,34)
InChIKeyQGALQYGEWXYGAZ-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.25
Rot. Bonds8

About 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 52998801) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID52998801
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N5O2/c33-26(21-23-11-14-32(15-12-23)27(34)29-25-9-5-2-6-10-25)28-13-16-30-17-19-31(20-18-30)22-24-7-3-1-4-8-24/h1-10,23H,11-22H2,(H,28,33)(H,29,34)
InChIKeyQGALQYGEWXYGAZ-UHFFFAOYSA-N
XLogP3.25
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
CID 52998822
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 95065266
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 93071884
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
CID 122566205
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (CID 52998801) is 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is QGALQYGEWXYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c33-26(21-23-11-14-32(15-12-23)27(34)29-25-9-5-2-6-10-25)28-13-16-30-17-19-31(20-18-30)22-24-7-3-1-4-8-24/h1-10,23H,11-22H2,(H,28,33)(H,29,34).
What are the key properties of 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 52998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).