(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

C16H21N5O2 — CID 75501375

IUPAC(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCCC1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1
InChIInChI=1S/C16H21N5O2/c1-3-12-5-4-8-20(10-12)16(22)13-6-7-15(23-2)14(9-13)21-11-17-18-19-21/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeySEKFMXSUVBHRCR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.93
Rot. Bonds4

About (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 75501375) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
PubChem CID75501375
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCCC1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1
InChIInChI=1S/C16H21N5O2/c1-3-12-5-4-8-20(10-12)16(22)13-6-7-15(23-2)14(9-13)21-11-17-18-19-21/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeySEKFMXSUVBHRCR-UHFFFAOYSA-N
XLogP1.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 8442329
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
N-(5-Acetyl-2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 118633152
4-(2-methylpropoxy)-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
CID 155513158
N-[2-(4-methoxyphenyl)ethyl]-3-(1H-tetrazol-1-yl)benzamide
CID 4880088
N-(2-methoxyphenyl)-4-(1H-tetraazol-1-yl)benzamide
CID 777207
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 8893984
[1-(2-Methoxyanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 16285403
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 31425253
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 40020037
4-methoxy-N-pyridin-4-yl-3-(tetrazol-1-yl)benzamide
CID 155550362
(E)-3-(4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 171352894

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (CID 75501375) is (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is CCC1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is SEKFMXSUVBHRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-12-5-4-8-20(10-12)16(22)13-6-7-15(23-2)14(9-13)21-11-17-18-19-21/h6-7,9,11-12H,3-5,8,10H2,1-2H3.
What are the key properties of (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 75501375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).