1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide

C24H35N3O2 — CID 109145891

IUPAC1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(25-20-6-2-3-7-20)18-8-10-19(11-9-18)24(29)26-21-12-14-22(15-13-21)27-16-4-1-5-17-27/h12-15,18-20H,1-11,16-17H2,(H,25,28)(H,26,29)
InChIKeyCSBVTFIBWNQRMT-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.48
Rot. Bonds5

About 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide

1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145891) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145891
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(25-20-6-2-3-7-20)18-8-10-19(11-9-18)24(29)26-21-12-14-22(15-13-21)27-16-4-1-5-17-27/h12-15,18-20H,1-11,16-17H2,(H,25,28)(H,26,29)
InChIKeyCSBVTFIBWNQRMT-UHFFFAOYSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
2-[(4-pyrrolidin-1-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 82036772
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145891) is 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CSBVTFIBWNQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23(25-20-6-2-3-7-20)18-8-10-19(11-9-18)24(29)26-21-12-14-22(15-13-21)27-16-4-1-5-17-27/h12-15,18-20H,1-11,16-17H2,(H,25,28)(H,26,29).
What are the key properties of 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).