(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C14H24N4O3S — CID 124560581

IUPAC(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c1-3-22(20,21)10-11(2)17-14(19)18-9-5-4-6-12(18)13-15-7-8-16-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16)(H,17,19)/t11-,12-/m1/s1
InChIKeyKJLXHSIFWUXLQK-VXGBXAGGSA-N
MW328.44 g/mol
LogP1.47
Rot. Bonds5

About (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 124560581) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID124560581
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c1-3-22(20,21)10-11(2)17-14(19)18-9-5-4-6-12(18)13-15-7-8-16-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16)(H,17,19)/t11-,12-/m1/s1
InChIKeyKJLXHSIFWUXLQK-VXGBXAGGSA-N
XLogP1.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124570245
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
CID 97098881
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71969302
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 97054065
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 124560581) is (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KJLXHSIFWUXLQK-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-3-22(20,21)10-11(2)17-14(19)18-9-5-4-6-12(18)13-15-7-8-16-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,16)(H,17,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124560581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).