4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide

C18H24ClN3O3 — CID 55802990

IUPAC4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C18H24ClN3O3/c19-15-6-4-14(5-7-15)18(25)21-10-8-16(23)20-11-9-17(24)22-12-2-1-3-13-22/h4-7H,1-3,8-13H2,(H,20,23)(H,21,25)
InChIKeyOXAHDNMALYNZIN-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.98
Rot. Bonds7

About 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide

4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide (PubChem CID 55802990) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
PubChem CID55802990
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C18H24ClN3O3/c19-15-6-4-14(5-7-15)18(25)21-10-8-16(23)20-11-9-17(24)22-12-2-1-3-13-22/h4-7H,1-3,8-13H2,(H,20,23)(H,21,25)
InChIKeyOXAHDNMALYNZIN-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
tert-butyl 4-[3-[(4-chlorobenzoyl)amino]propanoyl]piperazine-1-carboxylate
CID 16617166
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 18146077
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
4-chloro-N-[3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25471182
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide (CID 55802990) is 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCCC(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide?
The InChIKey is OXAHDNMALYNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-15-6-4-14(5-7-15)18(25)21-10-8-16(23)20-11-9-17(24)22-12-2-1-3-13-22/h4-7H,1-3,8-13H2,(H,20,23)(H,21,25).
What are the key properties of 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide?
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide is sourced from PubChem (CID 55802990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).