N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

C23H28ClN5O2 — CID 53005028

IUPACN-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H28ClN5O2/c24-19-4-3-5-20(17-19)26-23(31)29-10-7-18(8-11-29)16-22(30)28-14-12-27(13-15-28)21-6-1-2-9-25-21/h1-6,9,17-18H,7-8,10-16H2,(H,26,31)
InChIKeyBGASUWSXPCTYSI-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.72
Rot. Bonds4

About N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 53005028) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID53005028
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H28ClN5O2/c24-19-4-3-5-20(17-19)26-23(31)29-10-7-18(8-11-29)16-22(30)28-14-12-27(13-15-28)21-6-1-2-9-25-21/h1-6,9,17-18H,7-8,10-16H2,(H,26,31)
InChIKeyBGASUWSXPCTYSI-UHFFFAOYSA-N
XLogP3.72
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 44760722
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 110854887
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (CID 53005028) is N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is BGASUWSXPCTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c24-19-4-3-5-20(17-19)26-23(31)29-10-7-18(8-11-29)16-22(30)28-14-12-27(13-15-28)21-6-1-2-9-25-21/h1-6,9,17-18H,7-8,10-16H2,(H,26,31).
What are the key properties of N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 53005028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).