N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide

C20H29N3O2S — CID 47548219

IUPACN-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2cccs2)CC1)C1=CCCCC1
InChIInChI=1S/C20H29N3O2S/c1-2-23(17-7-4-3-5-8-17)19(24)15-22-12-10-16(11-13-22)21-20(25)18-9-6-14-26-18/h6-7,9,14,16H,2-5,8,10-13,15H2,1H3,(H,21,25)
InChIKeyVKZWOPNSVVVHAK-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.25
Rot. Bonds6

About N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47548219) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47548219
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2cccs2)CC1)C1=CCCCC1
InChIInChI=1S/C20H29N3O2S/c1-2-23(17-7-4-3-5-8-17)19(24)15-22-12-10-16(11-13-22)21-20(25)18-9-6-14-26-18/h6-7,9,14,16H,2-5,8,10-13,15H2,1H3,(H,21,25)
InChIKeyVKZWOPNSVVVHAK-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548533
N-(cyclohexen-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107408318
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
N-(cyclopenten-1-yl)-N-ethyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 9114265
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide (CID 47548219) is N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide is CCN(C(=O)CN1CCC(NC(=O)c2cccs2)CC1)C1=CCCCC1.
What is the InChIKey of N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is VKZWOPNSVVVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-2-23(17-7-4-3-5-8-17)19(24)15-22-12-10-16(11-13-22)21-20(25)18-9-6-14-26-18/h6-7,9,14,16H,2-5,8,10-13,15H2,1H3,(H,21,25).
What are the key properties of N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47548219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).