N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23ClN6O2 — CID 119795061

IUPACN-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)C2(OC)CCNCC2)c1.Cl
InChIInChI=1S/C16H22N6O2.ClH/c1-3-22-14(19-20-21-22)12-5-4-6-13(11-12)18-15(23)16(24-2)7-9-17-10-8-16;/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,23);1H
InChIKeyBOHTUYBAANOSFF-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119795061) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119795061
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCn1nnnc1-c1cccc(NC(=O)C2(OC)CCNCC2)c1.Cl
InChIInChI=1S/C16H22N6O2.ClH/c1-3-22-14(19-20-21-22)12-5-4-6-13(11-12)18-15(23)16(24-2)7-9-17-10-8-16;/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,23);1H
InChIKeyBOHTUYBAANOSFF-UHFFFAOYSA-N
XLogP1.49
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
4-methoxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119808907
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
CID 119707150
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119399847
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619470
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 119399848

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119795061) is N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is CCn1nnnc1-c1cccc(NC(=O)C2(OC)CCNCC2)c1.Cl.
What is the InChIKey of N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is BOHTUYBAANOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2.ClH/c1-3-22-14(19-20-21-22)12-5-4-6-13(11-12)18-15(23)16(24-2)7-9-17-10-8-16;/h4-6,11,17H,3,7-10H2,1-2H3,(H,18,23);1H.
What are the key properties of N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119795061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).