N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C21H33N3O2S — CID 49448028

IUPACN-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2ccc(C)s2)CC1)C1CCCCC1
InChIInChI=1S/C21H33N3O2S/c1-3-24(18-7-5-4-6-8-18)20(25)15-23-13-11-17(12-14-23)22-21(26)19-10-9-16(2)27-19/h9-10,17-18H,3-8,11-15H2,1-2H3,(H,22,26)
InChIKeyYZKSRHTWBDFURD-UHFFFAOYSA-N
MW391.58 g/mol
LogP3.43
Rot. Bonds6

About N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49448028) has the molecular formula C21H33N3O2S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49448028
Molecular FormulaC21H33N3O2S
Molecular Weight391.58 g/mol
Exact Mass391.23
IUPAC NameN-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2ccc(C)s2)CC1)C1CCCCC1
InChIInChI=1S/C21H33N3O2S/c1-3-24(18-7-5-4-6-8-18)20(25)15-23-13-11-17(12-14-23)22-21(26)19-10-9-16(2)27-19/h9-10,17-18H,3-8,11-15H2,1-2H3,(H,22,26)
InChIKeyYZKSRHTWBDFURD-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49448028) is N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is CCN(C(=O)CN1CCC(NC(=O)c2ccc(C)s2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is YZKSRHTWBDFURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2S/c1-3-24(18-7-5-4-6-8-18)20(25)15-23-13-11-17(12-14-23)22-21(26)19-10-9-16(2)27-19/h9-10,17-18H,3-8,11-15H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 391.58 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49448028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).