N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H19N7O4S — CID 71792214

IUPACN-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C15H19N7O4S/c1-27(25,26)21-8-6-10(7-9-21)15(24)17-11-2-4-12(5-3-11)22-19-14(13(16)23)18-20-22/h2-5,10H,6-9H2,1H3,(H2,16,23)(H,17,24)
InChIKeyLHPGKBINPPOIGI-UHFFFAOYSA-N
MW393.43 g/mol
LogP-0.63
Rot. Bonds5

About N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71792214) has the molecular formula C15H19N7O4S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71792214
Molecular FormulaC15H19N7O4S
Molecular Weight393.43 g/mol
Exact Mass393.12
IUPAC NameN-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C15H19N7O4S/c1-27(25,26)21-8-6-10(7-9-21)15(24)17-11-2-4-12(5-3-11)22-19-14(13(16)23)18-20-22/h2-5,10H,6-9H2,1H3,(H2,16,23)(H,17,24)
InChIKeyLHPGKBINPPOIGI-UHFFFAOYSA-N
XLogP-0.63
TPSA153.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110726535
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122292433
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122296645
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71792214) is N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)CC1.
What is the InChIKey of N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is LHPGKBINPPOIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O4S/c1-27(25,26)21-8-6-10(7-9-21)15(24)17-11-2-4-12(5-3-11)22-19-14(13(16)23)18-20-22/h2-5,10H,6-9H2,1H3,(H2,16,23)(H,17,24).
What are the key properties of N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 393.43 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71792214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).