cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone

C16H19N5O — CID 110196518

IUPACcyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H19N5O/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-17-18-19-21(15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyYWJSZJFUNSTGCP-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.78
Rot. Bonds3

About cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone

cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196518) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196518
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Namecyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C16H19N5O/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-17-18-19-21(15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyYWJSZJFUNSTGCP-UHFFFAOYSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-3-carboxylic acid cyclohexylamide
CID 656118
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
1H-Tetrazole-5-pentanamide, N-cyclohexyl-N-ethyl-1-phenyl-
CID 3062260
1-(1-Phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 2527325
8-[(1-Tert-butyltetrazol-5-yl)-cyclopropylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360854
Methyl 4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine-1-carboxylate
CID 51086868
Ethyl 1-[3-(1-phenyltetrazol-5-yl)propyl]piperidine-4-carboxylate
CID 53523518
1-ethyl-3-methyl-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]-3-piperidinecarboxamide
CID 72862622
1-(2,5-Difluorobenzoyl)-3-(1-phenyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 124043307
1-(2-Fluorobenzoyl)-3-(1-phenyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 124073403

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196518) is cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YWJSZJFUNSTGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-17-18-19-21(15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2.
What are the key properties of cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone?
cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-phenyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).