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

C20H33N3O4S — CID 95088526

IUPAC(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H33N3O4S/c1-14(20(24)21-18-8-6-4-5-7-9-18)17-10-12-23(13-11-17)28(25,26)19-15(2)22-27-16(19)3/h14,17-18H,4-13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyRLCINOMIGPOVFN-CQSZACIVSA-N
MW411.57 g/mol
LogP3.17
Rot. Bonds5

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

(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (PubChem CID 95088526) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
PubChem CID95088526
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C20H33N3O4S/c1-14(20(24)21-18-8-6-4-5-7-9-18)17-10-12-23(13-11-17)28(25,26)19-15(2)22-27-16(19)3/h14,17-18H,4-13H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyRLCINOMIGPOVFN-CQSZACIVSA-N
XLogP3.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 53118750
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
CID 26431718
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
N-cyclopentyl-4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazine-1-carboxamide
CID 53118822
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 53118789
(2R)-N-[(4-butoxyphenyl)methyl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide
CID 95088645
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylazetidine-1-carboxamide
CID 167767753

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide (CID 95088526) is (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
The InChIKey is RLCINOMIGPOVFN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-14(20(24)21-18-8-6-4-5-7-9-18)17-10-12-23(13-11-17)28(25,26)19-15(2)22-27-16(19)3/h14,17-18H,4-13H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide?
(2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide has a molecular weight of 411.57 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95088526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).