[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C19H24ClN5O — CID 166623697

IUPAC[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CNC2)CC1
InChIInChI=1S/C19H24ClN5O/c1-24-13-22-23-17(24)15-6-8-25(9-7-15)18(26)19(11-21-12-19)10-14-2-4-16(20)5-3-14/h2-5,13,15,21H,6-12H2,1H3
InChIKeyWFZQKGAJZVMSMH-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.01
Rot. Bonds4

About [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 166623697) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID166623697
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CNC2)CC1
InChIInChI=1S/C19H24ClN5O/c1-24-13-22-23-17(24)15-6-8-25(9-7-15)18(26)19(11-21-12-19)10-14-2-4-16(20)5-3-14/h2-5,13,15,21H,6-12H2,1H3
InChIKeyWFZQKGAJZVMSMH-UHFFFAOYSA-N
XLogP2.01
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
8-[3-[(4-chlorophenyl)methyl]azetidine-3-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 166619692
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112835991
[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-(3-phenylpiperazin-1-yl)methanone
CID 166622855
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95728100
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
N-(2-chloro-5-methylphenyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75441233
[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 154895005
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 166623697) is [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cnnc1C1CCN(C(=O)C2(Cc3ccc(Cl)cc3)CNC2)CC1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is WFZQKGAJZVMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-24-13-22-23-17(24)15-6-8-25(9-7-15)18(26)19(11-21-12-19)10-14-2-4-16(20)5-3-14/h2-5,13,15,21H,6-12H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 373.89 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]azetidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166623697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).