N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide

C20H24N2O3S — CID 124749652

IUPACN-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC[C@@H](C(=O)c2cccs2)C1
InChIInChI=1S/C20H24N2O3S/c1-25-17-8-3-2-7-16(17)21-19(23)10-12-22-11-4-6-15(14-22)20(24)18-9-5-13-26-18/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyBBHPLIVLMMIPSC-OAHLLOKOSA-N
MW372.49 g/mol
LogP3.68
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide

N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide (PubChem CID 124749652) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
PubChem CID124749652
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
SMILESCOc1ccccc1NC(=O)CCN1CCC[C@@H](C(=O)c2cccs2)C1
InChIInChI=1S/C20H24N2O3S/c1-25-17-8-3-2-7-16(17)21-19(23)10-12-22-11-4-6-15(14-22)20(24)18-9-5-13-26-18/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyBBHPLIVLMMIPSC-OAHLLOKOSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-[(3S)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide
CID 124749651
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-(2-methoxyphenyl)-3-[3-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]propanamide
CID 91832840
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
N-(2-methoxyphenyl)-3-[(3S,4S)-3-methyl-4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanamide
CID 97250421
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide (CID 124749652) is N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide is COc1ccccc1NC(=O)CCN1CCC[C@@H](C(=O)c2cccs2)C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is BBHPLIVLMMIPSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-17-8-3-2-7-16(17)21-19(23)10-12-22-11-4-6-15(14-22)20(24)18-9-5-13-26-18/h2-3,5,7-9,13,15H,4,6,10-12,14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide?
N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(3R)-3-(thiophene-2-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124749652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).