2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C15H21ClN6O — CID 119463131

IUPAC2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCNC1
InChIInChI=1S/C15H20N6O.ClH/c22-14(17-10-12-5-4-8-16-9-12)11-21-19-15(18-20-21)13-6-2-1-3-7-13;/h1-3,6-7,12,16H,4-5,8-11H2,(H,17,22);1H
InChIKeyDGPSJKVKFPMQHS-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.88
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119463131) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119463131
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCNC1
InChIInChI=1S/C15H20N6O.ClH/c22-14(17-10-12-5-4-8-16-9-12)11-21-19-15(18-20-21)13-6-2-1-3-7-13;/h1-3,6-7,12,16H,4-5,8-11H2,(H,17,22);1H
InChIKeyDGPSJKVKFPMQHS-UHFFFAOYSA-N
XLogP0.88
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119513221
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536552
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944477
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461433
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119463131) is 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCNC1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is DGPSJKVKFPMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c22-14(17-10-12-5-4-8-16-9-12)11-21-19-15(18-20-21)13-6-2-1-3-7-13;/h1-3,6-7,12,16H,4-5,8-11H2,(H,17,22);1H.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119463131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).