1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C23H25N3O2S — CID 16910291

IUPAC1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2cccs2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2S/c27-22(25-21-9-3-6-17-5-1-2-8-20(17)21)16-26-12-10-18(11-13-26)23(28)24-15-19-7-4-14-29-19/h1-9,14,18H,10-13,15-16H2,(H,24,28)(H,25,27)
InChIKeySICBAJXBLIBYQC-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.87
Rot. Bonds6

About 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 16910291) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID16910291
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2cccs2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H25N3O2S/c27-22(25-21-9-3-6-17-5-1-2-8-20(17)21)16-26-12-10-18(11-13-26)23(28)24-15-19-7-4-14-29-19/h1-9,14,18H,10-13,15-16H2,(H,24,28)(H,25,27)
InChIKeySICBAJXBLIBYQC-UHFFFAOYSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27071147
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600504

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 16910291) is 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2cccs2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SICBAJXBLIBYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-22(25-21-9-3-6-17-5-1-2-8-20(17)21)16-26-12-10-18(11-13-26)23(28)24-15-19-7-4-14-29-19/h1-9,14,18H,10-13,15-16H2,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16910291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).