N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

C24H30N2O3S — CID 124946896

IUPACN-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H30N2O3S/c1-2-25-23(28)24(11-13-26(14-12-24)22(27)20-5-3-15-29-20)17-18-7-9-19(10-8-18)21-6-4-16-30-21/h4,6-10,16,20H,2-3,5,11-15,17H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyCBRYTJJTCOFYJA-FQEVSTJZSA-N
MW426.58 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 124946896) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID124946896
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C24H30N2O3S/c1-2-25-23(28)24(11-13-26(14-12-24)22(27)20-5-3-15-29-20)17-18-7-9-19(10-8-18)21-6-4-16-30-21/h4,6-10,16,20H,2-3,5,11-15,17H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyCBRYTJJTCOFYJA-FQEVSTJZSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579805
1-(oxolane-2-carbonyl)-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231260
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
(3S)-1-[(2S)-oxane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579786
(3S)-1-[(2R)-oxane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579788
1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231239
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 155982857
(3R)-N-ethyl-1-[(2R)-spiro[2.3]hexane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592218
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110231495
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569685
1-(cyclohexanecarbonyl)-N-methyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 124946896) is N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CBRYTJJTCOFYJA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-2-25-23(28)24(11-13-26(14-12-24)22(27)20-5-3-15-29-20)17-18-7-9-19(10-8-18)21-6-4-16-30-21/h4,6-10,16,20H,2-3,5,11-15,17H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124946896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).