N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide

C14H19ClN4O — CID 66196929

IUPACN-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H19ClN4O/c15-11-1-3-12(4-2-11)17-14(20)19-9-13(10-19)18-7-5-16-6-8-18/h1-4,13,16H,5-10H2,(H,17,20)
InChIKeyBSQQJJOKOPJGAX-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.46
Rot. Bonds2

About N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide

N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide (PubChem CID 66196929) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
PubChem CID66196929
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H19ClN4O/c15-11-1-3-12(4-2-11)17-14(20)19-9-13(10-19)18-7-5-16-6-8-18/h1-4,13,16H,5-10H2,(H,17,20)
InChIKeyBSQQJJOKOPJGAX-UHFFFAOYSA-N
XLogP1.46
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 82883104
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide (CID 66196929) is N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(N2CCNCC2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide?
The InChIKey is BSQQJJOKOPJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-11-1-3-12(4-2-11)17-14(20)19-9-13(10-19)18-7-5-16-6-8-18/h1-4,13,16H,5-10H2,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide?
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 66196929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).