5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide

C20H25ClN2O2S — CID 120888783

IUPAC5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)CCNCC1
InChIInChI=1S/C20H25ClN2O2S/c1-14-10-17(26-18(14)15-4-3-5-16(21)11-15)19(24)23-12-20(13-25-2)6-8-22-9-7-20/h3-5,10-11,22H,6-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMFBRKXQMTAZZNK-UHFFFAOYSA-N
MW392.95 g/mol
LogP4.12
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide

5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 120888783) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID120888783
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCC1(CNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)CCNCC1
InChIInChI=1S/C20H25ClN2O2S/c1-14-10-17(26-18(14)15-4-3-5-16(21)11-15)19(24)23-12-20(13-25-2)6-8-22-9-7-20/h3-5,10-11,22H,6-9,12-13H2,1-2H3,(H,23,24)
InChIKeyMFBRKXQMTAZZNK-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 120891207
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 120888763
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 120890583

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide (CID 120888783) is 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide is COCC1(CNC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)CCNCC1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is MFBRKXQMTAZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-14-10-17(26-18(14)15-4-3-5-16(21)11-15)19(24)23-12-20(13-25-2)6-8-22-9-7-20/h3-5,10-11,22H,6-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide?
5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 392.95 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 120888783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).