N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

C15H21ClN6O — CID 120555808

IUPACN-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCC1CNCCC1NC(=O)Cc1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-11-9-16-7-6-14(11)18-15(22)8-12-2-4-13(5-3-12)21-10-17-19-20-21;/h2-5,10-11,14,16H,6-9H2,1H3,(H,18,22);1H
InChIKeyIIPWASJYVRLMSE-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.74
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (PubChem CID 120555808) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
PubChem CID120555808
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC NameN-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
SMILESCC1CNCCC1NC(=O)Cc1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C15H20N6O.ClH/c1-11-9-16-7-6-14(11)18-15(22)8-12-2-4-13(5-3-12)21-10-17-19-20-21;/h2-5,10-11,14,16H,6-9H2,1H3,(H,18,22);1H
InChIKeyIIPWASJYVRLMSE-UHFFFAOYSA-N
XLogP0.74
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 120656067
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 120656068
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535920
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride (CID 120555808) is N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is CC1CNCCC1NC(=O)Cc1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
The InChIKey is IIPWASJYVRLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.ClH/c1-11-9-16-7-6-14(11)18-15(22)8-12-2-4-13(5-3-12)21-10-17-19-20-21;/h2-5,10-11,14,16H,6-9H2,1H3,(H,18,22);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride has a molecular weight of 336.83 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120555808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).