1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C23H31N3O3S — CID 60600504

IUPAC1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)CN1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C23H31N3O3S/c1-29-17-20-6-3-2-5-19(20)15-25-22(27)16-26-12-9-18(10-13-26)23(28)24-11-8-21-7-4-14-30-21/h2-7,14,18H,8-13,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyCBDDFALWIGBSNF-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.58
Rot. Bonds10

About 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60600504) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60600504
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)CN1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C23H31N3O3S/c1-29-17-20-6-3-2-5-19(20)15-25-22(27)16-26-12-9-18(10-13-26)23(28)24-11-8-21-7-4-14-30-21/h2-7,14,18H,8-13,15-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyCBDDFALWIGBSNF-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60600504) is 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is COCc1ccccc1CNC(=O)CN1CCC(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is CBDDFALWIGBSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-29-17-20-6-3-2-5-19(20)15-25-22(27)16-26-12-9-18(10-13-26)23(28)24-11-8-21-7-4-14-30-21/h2-7,14,18H,8-13,15-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60600504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).