N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide

C15H21ClN4O — CID 23140017

IUPACN-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCN1CCN(C2CN(C(=O)Nc3ccccc3Cl)C2)CC1
InChIInChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)12-10-20(11-12)15(21)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,21)
InChIKeyZNSCIZZSJOENMZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.80
Rot. Bonds2

About N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide

N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (PubChem CID 23140017) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
PubChem CID23140017
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCN1CCN(C2CN(C(=O)Nc3ccccc3Cl)C2)CC1
InChIInChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)12-10-20(11-12)15(21)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,21)
InChIKeyZNSCIZZSJOENMZ-UHFFFAOYSA-N
XLogP1.80
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
(3S)-N-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)azepane-1-carboxamide
CID 97253561
(3R)-N-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)azepane-1-carboxamide
CID 97253562
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
N-(2-chlorophenyl)-4-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxamide
CID 97331514
N-(2-chlorophenyl)-4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxamide
CID 121020401
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (CID 23140017) is N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is CN1CCN(C2CN(C(=O)Nc3ccccc3Cl)C2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The InChIKey is ZNSCIZZSJOENMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)12-10-20(11-12)15(21)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).