2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide

C15H19ClN6O — CID 120575453

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN6O/c1-10-13(3-2-8-17-10)18-14(23)9-22-20-15(19-21-22)11-4-6-12(16)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,23)
InChIKeyUWSHNMHHLZOBEN-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.25
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide (PubChem CID 120575453) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
PubChem CID120575453
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN6O/c1-10-13(3-2-8-17-10)18-14(23)9-22-20-15(19-21-22)11-4-6-12(16)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,23)
InChIKeyUWSHNMHHLZOBEN-UHFFFAOYSA-N
XLogP1.25
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119458083
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-[4-[2-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]pyridine-4-carboxamide
CID 3213133
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-(4-chlorophenyl)sulfonyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576176

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide (CID 120575453) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide is CC1NCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide?
The InChIKey is UWSHNMHHLZOBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-10-13(3-2-8-17-10)18-14(23)9-22-20-15(19-21-22)11-4-6-12(16)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3,(H,18,23).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide has a molecular weight of 334.81 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 120575453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).