cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

C18H24N6O — CID 30857622

IUPACcyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H24N6O/c25-18(15-6-4-5-7-15)23-12-10-22(11-13-23)14-17-19-20-21-24(17)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyGKJUOGOSFKIIMG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.50
Rot. Bonds4

About cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30857622) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID30857622
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Namecyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H24N6O/c25-18(15-6-4-5-7-15)23-12-10-22(11-13-23)14-17-19-20-21-24(17)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyGKJUOGOSFKIIMG-UHFFFAOYSA-N
XLogP1.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
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
2-ethyl-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)butanamide
CID 16799271
1-(2-fluorophenyl)-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25276816
Methyl 4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine-1-carboxylate
CID 51086868
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
N-{[1-(3,4-xylyl)-1H-tetraazol-5-yl]methyl}cyclopentanecarboxamide
CID 7216950
1-phenyl-4-(4-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carbonyl)pyrrolidin-2-one
CID 44049067

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 30857622) is cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is GKJUOGOSFKIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(15-6-4-5-7-15)23-12-10-22(11-13-23)14-17-19-20-21-24(17)16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2.
What are the key properties of cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30857622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).