(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone

C16H21N5O2 — CID 71830519

IUPAC(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C16H21N5O2/c1-12-7-9-21(10-8-12)16(22)13-3-5-14(6-4-13)23-11-15-17-18-19-20(15)2/h3-6,12H,7-11H2,1-2H3
InChIKeyQYDJZVFZVJOMIW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.66
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone

(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone (PubChem CID 71830519) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
PubChem CID71830519
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1
InChIInChI=1S/C16H21N5O2/c1-12-7-9-21(10-8-12)16(22)13-3-5-14(6-4-13)23-11-15-17-18-19-20(15)2/h3-6,12H,7-11H2,1-2H3
InChIKeyQYDJZVFZVJOMIW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

azepan-1-yl-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830515
[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 71830536
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
(2,6-dimethylmorpholin-4-yl)-[3-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830488
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
[1-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55841866
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
(4-methylpiperidin-1-yl)-[1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 55949056
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone (CID 71830519) is (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone is CC1CCN(C(=O)c2ccc(OCc3nnnn3C)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
The InChIKey is QYDJZVFZVJOMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-7-9-21(10-8-12)16(22)13-3-5-14(6-4-13)23-11-15-17-18-19-20(15)2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 71830519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).