2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one

C17H22ClN5O — CID 112809604

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCCCC1C)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H22ClN5O/c1-3-15(17(24)22-11-5-4-6-12(22)2)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyFNWIQCSEDIPHAU-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.35
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one (PubChem CID 112809604) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
PubChem CID112809604
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
SMILESCCC(C(=O)N1CCCCC1C)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H22ClN5O/c1-3-15(17(24)22-11-5-4-6-12(22)2)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyFNWIQCSEDIPHAU-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]butan-1-one
CID 56512012
(2R)-1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 100662526
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 120820212
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 55441302
4-[[4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]piperazin-1-yl]methyl]benzamide
CID 112827487
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(3-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 112800579
(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 26971559
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 55658400
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558598
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one
CID 25382902

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one (CID 112809604) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one is CCC(C(=O)N1CCCCC1C)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one?
The InChIKey is FNWIQCSEDIPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-3-15(17(24)22-11-5-4-6-12(22)2)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one has a molecular weight of 347.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 112809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).