3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one

C15H25N5O — CID 110196515

IUPAC3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCn1nnnc1C1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-19-15(16-17-18-19)13-7-4-10-20(11-13)14(21)9-8-12-5-2-3-6-12/h12-13H,2-11H2,1H3
InChIKeySSGQAUWWTNFPHO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.89
Rot. Bonds4

About 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110196515) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110196515
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCn1nnnc1C1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-19-15(16-17-18-19)13-7-4-10-20(11-13)14(21)9-8-12-5-2-3-6-12/h12-13H,2-11H2,1H3
InChIKeySSGQAUWWTNFPHO-UHFFFAOYSA-N
XLogP1.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopentyl-1-[3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidin-1-YL]ethan-1-one
CID 110196517
Cyclopentyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196510
Cyclopropyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196508
N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 21295396
5-(1-Methyltetrazol-5-yl)-1-piperidin-1-ylpentan-1-one
CID 21295469
2-Cyclopentyl-1-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 45808758
2-cyclopentyl-N-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 53614059
1-Cyclobutanecarbonyl-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196509
1-(3,5-Dimethylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498353
1-(3-Methylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498361
1-(4-Methylpiperidin-1-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498363
N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexanecarboxamide
CID 110871032

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one (CID 110196515) is 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one is Cn1nnnc1C1CCCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SSGQAUWWTNFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-15(16-17-18-19)13-7-4-10-20(11-13)14(21)9-8-12-5-2-3-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110196515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).