N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C25H29N3O2S — CID 20940825

IUPACN-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C25H29N3O2S/c29-24(26-20-7-2-1-3-8-20)19-12-15-27(16-13-19)25(30)22-10-11-23(31-22)28-17-14-18-6-4-5-9-21(18)28/h4-6,9-11,14,17,19-20H,1-3,7-8,12-13,15-16H2,(H,26,29)
InChIKeyGIRLRCHHYNKZIL-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.99
Rot. Bonds4

About N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 20940825) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID20940825
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C25H29N3O2S/c29-24(26-20-7-2-1-3-8-20)19-12-15-27(16-13-19)25(30)22-10-11-23(31-22)28-17-14-18-6-4-5-9-21(18)28/h4-6,9-11,14,17,19-20H,1-3,7-8,12-13,15-16H2,(H,26,29)
InChIKeyGIRLRCHHYNKZIL-UHFFFAOYSA-N
XLogP4.99
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
CID 20940648
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 92707643
N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 20940820
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
(5R)-N-cyclohexyl-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95109208
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 20940825) is N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1.
What is the InChIKey of N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GIRLRCHHYNKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-24(26-20-7-2-1-3-8-20)19-12-15-27(16-13-19)25(30)22-10-11-23(31-22)28-17-14-18-6-4-5-9-21(18)28/h4-6,9-11,14,17,19-20H,1-3,7-8,12-13,15-16H2,(H,26,29).
What are the key properties of N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20940825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).