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

C20H34N4O4S — CID 3241123

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C20H34N4O4S/c1-4-18-7-5-6-11-23(18)14-10-21-20(25)17-8-12-24(13-9-17)29(26,27)19-15(2)22-28-16(19)3/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyHVVCAWIYWDLEQT-UHFFFAOYSA-N
MW426.58 g/mol
LogP2.07
Rot. Bonds7

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 3241123) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID3241123
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C20H34N4O4S/c1-4-18-7-5-6-11-23(18)14-10-21-20(25)17-8-12-24(13-9-17)29(26,27)19-15(2)22-28-16(19)3/h17-18H,4-14H2,1-3H3,(H,21,25)
InChIKeyHVVCAWIYWDLEQT-UHFFFAOYSA-N
XLogP2.07
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 167894608
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-[(3,5-difluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55596929
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 52720503
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylazetidine-1-carboxamide
CID 167767753
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 3241123) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is CCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is HVVCAWIYWDLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-4-18-7-5-6-11-23(18)14-10-21-20(25)17-8-12-24(13-9-17)29(26,27)19-15(2)22-28-16(19)3/h17-18H,4-14H2,1-3H3,(H,21,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3241123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).