N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H23ClN4O2 — CID 119099973

IUPACN-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C1CN(C2CC3CCC(C2)N3C(=O)Nc2cccc(Cl)c2)CCN1
InChIInChI=1S/C18H23ClN4O2/c19-12-2-1-3-13(8-12)21-18(25)23-14-4-5-15(23)10-16(9-14)22-7-6-20-17(24)11-22/h1-3,8,14-16H,4-7,9-11H2,(H,20,24)(H,21,25)
InChIKeyQFUWJKDOLKEINX-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.30
Rot. Bonds2

About N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 119099973) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID119099973
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C1CN(C2CC3CCC(C2)N3C(=O)Nc2cccc(Cl)c2)CCN1
InChIInChI=1S/C18H23ClN4O2/c19-12-2-1-3-13(8-12)21-18(25)23-14-4-5-15(23)10-16(9-14)22-7-6-20-17(24)11-22/h1-3,8,14-16H,4-7,9-11H2,(H,20,24)(H,21,25)
InChIKeyQFUWJKDOLKEINX-UHFFFAOYSA-N
XLogP2.30
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,6R)-N-[3-(3-chlorophenyl)phenyl]-3-methyl-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 74239637
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
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N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
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(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
1-(3-chlorophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
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N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63763329
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 119099973) is N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C1CN(C2CC3CCC(C2)N3C(=O)Nc2cccc(Cl)c2)CCN1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is QFUWJKDOLKEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c19-12-2-1-3-13(8-12)21-18(25)23-14-4-5-15(23)10-16(9-14)22-7-6-20-17(24)11-22/h1-3,8,14-16H,4-7,9-11H2,(H,20,24)(H,21,25).
What are the key properties of N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-oxopiperazin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 119099973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).