1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone

C20H29ClFN3O — CID 153338579

IUPAC1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C20H29ClFN3O/c1-14(26)25-10-7-18(8-11-25)23-9-6-15-2-4-16(5-3-15)20-19(21)12-17(22)13-24-20/h12-13,15-16,18,23H,2-11H2,1H3
InChIKeyBEAOCVJTWLZVFH-UHFFFAOYSA-N
MW381.92 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone

1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone (PubChem CID 153338579) has the molecular formula C20H29ClFN3O and a molecular weight of 381.92 g/mol. Its IUPAC name is 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
PubChem CID153338579
Molecular FormulaC20H29ClFN3O
Molecular Weight381.92 g/mol
Exact Mass381.20
IUPAC Name1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C20H29ClFN3O/c1-14(26)25-10-7-18(8-11-25)23-9-6-15-2-4-16(5-3-15)20-19(21)12-17(22)13-24-20/h12-13,15-16,18,23H,2-11H2,1H3
InChIKeyBEAOCVJTWLZVFH-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57399391
1-(3-Chloro-5-(4-fluorophenyl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275571
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
CID 46944010
1-[4-[(4-Chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 56676125
N-[(4-chlorophenyl)-(2-methyl-4-pyridinyl)methyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57395937
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 2765369
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338555
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-phenethylacetamide
CID 1485243
1-[2-(4-chlorophenyl)ethyl]-N-[(5-ethyl-2-pyridinyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793179
2-[1-(2-chloro-4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(2-pyridinylmethyl)acetamide
CID 24791965
N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 46948668
1-[(4-chlorophenyl)methyl]-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 49790123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone (CID 153338579) is 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
The InChIKey is BEAOCVJTWLZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN3O/c1-14(26)25-10-7-18(8-11-25)23-9-6-15-2-4-16(5-3-15)20-19(21)12-17(22)13-24-20/h12-13,15-16,18,23H,2-11H2,1H3.
What are the key properties of 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone has a molecular weight of 381.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 153338579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).