N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C17H27N7O3S — CID 20628885

IUPACN-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C3=NNNN3C)cc2)CC1
InChIInChI=1S/C17H27N7O3S/c1-12(2)28(26,27)20-15-8-10-24(11-9-15)17(25)18-14-6-4-13(5-7-14)16-19-21-22-23(16)3/h4-7,12,15,20-22H,8-11H2,1-3H3,(H,18,25)
InChIKeyUKPINRPZEJFCOG-UHFFFAOYSA-N
MW409.52 g/mol
LogP0.63
Rot. Bonds5

About N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20628885) has the molecular formula C17H27N7O3S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20628885
Molecular FormulaC17H27N7O3S
Molecular Weight409.52 g/mol
Exact Mass409.19
IUPAC NameN-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C3=NNNN3C)cc2)CC1
InChIInChI=1S/C17H27N7O3S/c1-12(2)28(26,27)20-15-8-10-24(11-9-15)17(25)18-14-6-4-13(5-7-14)16-19-21-22-23(16)3/h4-7,12,15,20-22H,8-11H2,1-3H3,(H,18,25)
InChIKeyUKPINRPZEJFCOG-UHFFFAOYSA-N
XLogP0.63
TPSA118.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630265
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 20630715

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20628885) is N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C3=NNNN3C)cc2)CC1.
What is the InChIKey of N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is UKPINRPZEJFCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O3S/c1-12(2)28(26,27)20-15-8-10-24(11-9-15)17(25)18-14-6-4-13(5-7-14)16-19-21-22-23(16)3/h4-7,12,15,20-22H,8-11H2,1-3H3,(H,18,25).
What are the key properties of N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20628885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).