N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride

C9H17ClN6O — CID 119260132

IUPACN-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cnnn1)NCC1CCCNC1
InChIInChI=1S/C9H16N6O.ClH/c16-9(6-15-7-12-13-14-15)11-5-8-2-1-3-10-4-8;/h7-8,10H,1-6H2,(H,11,16);1H
InChIKeySZFFEQNRCXPFIC-UHFFFAOYSA-N
MW260.73 g/mol
LogP-0.79
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride

N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride (PubChem CID 119260132) has the molecular formula C9H17ClN6O and a molecular weight of 260.73 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
PubChem CID119260132
Molecular FormulaC9H17ClN6O
Molecular Weight260.73 g/mol
Exact Mass260.12
IUPAC NameN-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1cnnn1)NCC1CCCNC1
InChIInChI=1S/C9H16N6O.ClH/c16-9(6-15-7-12-13-14-15)11-5-8-2-1-3-10-4-8;/h7-8,10H,1-6H2,(H,11,16);1H
InChIKeySZFFEQNRCXPFIC-UHFFFAOYSA-N
XLogP-0.79
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
N-[[(3S)-piperidin-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 129465854
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 104954996
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463240
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride (CID 119260132) is N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride is Cl.O=C(Cn1cnnn1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
The InChIKey is SZFFEQNRCXPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O.ClH/c16-9(6-15-7-12-13-14-15)11-5-8-2-1-3-10-4-8;/h7-8,10H,1-6H2,(H,11,16);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride?
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride has a molecular weight of 260.73 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119260132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).