N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

C25H33N3O2S — CID 72705034

IUPACN-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)s1
InChIInChI=1S/C25H33N3O2S/c1-18-10-11-23(31-18)25(30)27-22-9-5-6-19(16-22)17-28-14-12-20(13-15-28)24(29)26-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyMPIAOHRYJVHGPW-UHFFFAOYSA-N
MW439.63 g/mol
LogP4.97
Rot. Bonds6

About N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide

N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72705034) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72705034
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC NameN-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)s1
InChIInChI=1S/C25H33N3O2S/c1-18-10-11-23(31-18)25(30)27-22-9-5-6-19(16-22)17-28-14-12-20(13-15-28)24(29)26-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyMPIAOHRYJVHGPW-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 72705034) is N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)s1.
What is the InChIKey of N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MPIAOHRYJVHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2S/c1-18-10-11-23(31-18)25(30)27-22-9-5-6-19(16-22)17-28-14-12-20(13-15-28)24(29)26-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 439.63 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72705034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).