N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

C20H30Cl2N4O — CID 45275132

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C20H30Cl2N4O/c1-25(16-5-3-2-4-6-16)12-9-24-20(27)15-7-10-26(11-8-15)19-17(21)13-23-14-18(19)22/h13-16H,2-12H2,1H3,(H,24,27)
InChIKeyOOFHOCKMLSDUKO-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275132) has the molecular formula C20H30Cl2N4O and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275132
Molecular FormulaC20H30Cl2N4O
Molecular Weight413.39 g/mol
Exact Mass412.18
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C20H30Cl2N4O/c1-25(16-5-3-2-4-6-16)12-9-24-20(27)15-7-10-26(11-8-15)19-17(21)13-23-14-18(19)22/h13-16H,2-12H2,1H3,(H,24,27)
InChIKeyOOFHOCKMLSDUKO-UHFFFAOYSA-N
XLogP3.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide (CID 45275132) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is CN(CCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OOFHOCKMLSDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2N4O/c1-25(16-5-3-2-4-6-16)12-9-24-20(27)15-7-10-26(11-8-15)19-17(21)13-23-14-18(19)22/h13-16H,2-12H2,1H3,(H,24,27).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).