[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone

C14H19N5OS — CID 135099465

IUPAC[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C14H19N5OS/c20-14(13-5-2-9-21-13)12-4-1-6-18(10-12)7-3-8-19-11-15-16-17-19/h2,5,9,11-12H,1,3-4,6-8,10H2
InChIKeyBHBHZWLGEKQSLN-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.72
Rot. Bonds6

About [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone

[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone (PubChem CID 135099465) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
PubChem CID135099465
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C14H19N5OS/c20-14(13-5-2-9-21-13)12-4-1-6-18(10-12)7-3-8-19-11-15-16-17-19/h2,5,9,11-12H,1,3-4,6-8,10H2
InChIKeyBHBHZWLGEKQSLN-UHFFFAOYSA-N
XLogP1.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-1-[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 25386522
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
[(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407964
[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407966
[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 95215186
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
CID 124749652
N-(2-methoxyphenyl)-3-[(3S)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
CID 124749651
[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-3-yl]-thiophen-2-ylmethanone;dihydrochloride
CID 154892679
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352

Frequently Asked Questions

What is the IUPAC name of [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone (CID 135099465) is [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)C1CCCN(CCCn2cnnn2)C1.
What is the InChIKey of [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is BHBHZWLGEKQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(13-5-2-9-21-13)12-4-1-6-18(10-12)7-3-8-19-11-15-16-17-19/h2,5,9,11-12H,1,3-4,6-8,10H2.
What are the key properties of [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone?
[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 305.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 135099465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).