N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C21H32N4O3S — CID 39145647

IUPACN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H32N4O3S/c1-2-9-22-19(26)15-24-10-7-17(8-11-24)23-20(27)16-5-12-25(13-6-16)21(28)18-4-3-14-29-18/h3-4,14,16-17H,2,5-13,15H2,1H3,(H,22,26)(H,23,27)
InChIKeyCUHDQXFBOLLZIR-UHFFFAOYSA-N
MW420.58 g/mol
LogP1.71
Rot. Bonds7

About N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 39145647) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID39145647
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H32N4O3S/c1-2-9-22-19(26)15-24-10-7-17(8-11-24)23-20(27)16-5-12-25(13-6-16)21(28)18-4-3-14-29-18/h3-4,14,16-17H,2,5-13,15H2,1H3,(H,22,26)(H,23,27)
InChIKeyCUHDQXFBOLLZIR-UHFFFAOYSA-N
XLogP1.71
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 39145647) is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCCNC(=O)CN1CCC(NC(=O)C2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is CUHDQXFBOLLZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-2-9-22-19(26)15-24-10-7-17(8-11-24)23-20(27)16-5-12-25(13-6-16)21(28)18-4-3-14-29-18/h3-4,14,16-17H,2,5-13,15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39145647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).