N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

C16H20N6O3S — CID 1455565

IUPACN-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C16H20N6O3S/c23-16(18-13-1-2-13)12-7-9-21(10-8-12)26(24,25)15-5-3-14(4-6-15)22-11-17-19-20-22/h3-6,11-13H,1-2,7-10H2,(H,18,23)
InChIKeySIVVVIOVKQERFD-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.34
Rot. Bonds5

About N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 1455565) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID1455565
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C16H20N6O3S/c23-16(18-13-1-2-13)12-7-9-21(10-8-12)26(24,25)15-5-3-14(4-6-15)22-11-17-19-20-22/h3-6,11-13H,1-2,7-10H2,(H,18,23)
InChIKeySIVVVIOVKQERFD-UHFFFAOYSA-N
XLogP0.34
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195561
N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3216018
1-(3,4-difluorophenyl)sulfonyl-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 26729067
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3214682
[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195562
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 3214687
N-cyclopropyl-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 651633
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
N-(3-methylbutyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214813
N-(2-methoxyethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214836

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 1455565) is N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SIVVVIOVKQERFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c23-16(18-13-1-2-13)12-7-9-21(10-8-12)26(24,25)15-5-3-14(4-6-15)22-11-17-19-20-22/h3-6,11-13H,1-2,7-10H2,(H,18,23).
What are the key properties of N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1455565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).