N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C21H30N4O3S — CID 53085590

IUPACN-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O3S/c1-16(2)24-14-20(23-15-24)29(27,28)25-11-9-19(10-12-25)21(26)22-13-17(3)18-7-5-4-6-8-18/h4-8,14-17,19H,9-13H2,1-3H3,(H,22,26)
InChIKeyKIIBTMOZNXNPIO-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.78
Rot. Bonds7

About N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085590) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085590
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC NameN-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O3S/c1-16(2)24-14-20(23-15-24)29(27,28)25-11-9-19(10-12-25)21(26)22-13-17(3)18-7-5-4-6-8-18/h4-8,14-17,19H,9-13H2,1-3H3,(H,22,26)
InChIKeyKIIBTMOZNXNPIO-UHFFFAOYSA-N
XLogP2.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085542
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
ethyl 4-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 53085575
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133164298
N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085593
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 42907739
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
N-[(2-ethoxyphenyl)methyl]-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085786
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085590) is N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC(CNC(=O)C1CCN(S(=O)(=O)c2cn(C(C)C)cn2)CC1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KIIBTMOZNXNPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-16(2)24-14-20(23-15-24)29(27,28)25-11-9-19(10-12-25)21(26)22-13-17(3)18-7-5-4-6-8-18/h4-8,14-17,19H,9-13H2,1-3H3,(H,22,26).
What are the key properties of N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).