(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

C18H29N3O4S — CID 40502064

IUPAC(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C18H29N3O4S/c1-13-17(14(2)25-20-13)26(23,24)21-11-7-8-15(12-21)18(22)19-16-9-5-3-4-6-10-16/h15-16H,3-12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyLQYDXPSBAJFCQQ-OAHLLOKOSA-N
MW383.51 g/mol
LogP2.53
Rot. Bonds4

About (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 40502064) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID40502064
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C18H29N3O4S/c1-13-17(14(2)25-20-13)26(23,24)21-11-7-8-15(12-21)18(22)19-16-9-5-3-4-6-10-16/h15-16H,3-12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyLQYDXPSBAJFCQQ-OAHLLOKOSA-N
XLogP2.53
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3R)-N-cyclopentyl-1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92724986
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 51265069
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491783
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 20950566
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
(3R)-N-cyclopentyl-1-[[5-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92864749
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 40502064) is (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1.
What is the InChIKey of (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is LQYDXPSBAJFCQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-13-17(14(2)25-20-13)26(23,24)21-11-7-8-15(12-21)18(22)19-16-9-5-3-4-6-10-16/h15-16H,3-12H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 40502064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).