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

C15H21ClN4O — CID 23140487

IUPACN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCN1CCN(C2CN(C(=O)Nc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)14-10-20(11-14)15(21)17-13-4-2-12(16)3-5-13/h2-5,14H,6-11H2,1H3,(H,17,21)
InChIKeyGYMDKZOLOHTETN-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.80
Rot. Bonds2

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

N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (PubChem CID 23140487) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
PubChem CID23140487
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
SMILESCN1CCN(C2CN(C(=O)Nc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)14-10-20(11-14)15(21)17-13-4-2-12(16)3-5-13/h2-5,14H,6-11H2,1H3,(H,17,21)
InChIKeyGYMDKZOLOHTETN-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

N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
(2R,4R)-N-(4-chlorophenyl)-4-hydroxy-2-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 11374336
(3S)-N-[4-(2-methylphenyl)phenyl]-3-(4-methylpiperazin-1-yl)pyrrolidine-1-carboxamide
CID 125179316
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide (CID 23140487) is N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is CN1CCN(C2CN(C(=O)Nc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
The InChIKey is GYMDKZOLOHTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-18-6-8-19(9-7-18)14-10-20(11-14)15(21)17-13-4-2-12(16)3-5-13/h2-5,14H,6-11H2,1H3,(H,17,21).
What are the key properties of N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide?
N-(4-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-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).