N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide

C16H24N2O3S — CID 165422274

IUPACN-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCC[C@@H]1CN(C(=O)c2ccsc2)CC[C@@H]1NC(=O)CCOC
InChIInChI=1S/C16H24N2O3S/c1-3-12-10-18(16(20)13-6-9-22-11-13)7-4-14(12)17-15(19)5-8-21-2/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyOLOIYPPNOGWFRX-OCCSQVGLSA-N
MW324.45 g/mol
LogP2.14
Rot. Bonds6

About N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide

N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide (PubChem CID 165422274) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide
PubChem CID165422274
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide
SMILESCC[C@@H]1CN(C(=O)c2ccsc2)CC[C@@H]1NC(=O)CCOC
InChIInChI=1S/C16H24N2O3S/c1-3-12-10-18(16(20)13-6-9-22-11-13)7-4-14(12)17-15(19)5-8-21-2/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyOLOIYPPNOGWFRX-OCCSQVGLSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
(3aS,7aR)-5-(2-methoxyethyl)-2-(thiophene-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 125205857
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512
N-[3-[(1-methyl-2-phenylpyrrolidin-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 71907631
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide (CID 165422274) is N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide is CC[C@@H]1CN(C(=O)c2ccsc2)CC[C@@H]1NC(=O)CCOC.
What is the InChIKey of N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is OLOIYPPNOGWFRX-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-12-10-18(16(20)13-6-9-22-11-13)7-4-14(12)17-15(19)5-8-21-2/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,19)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide?
N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 324.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-ethyl-1-(thiophene-3-carbonyl)piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 165422274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).