1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C22H27ClN4O2 — CID 58548110

IUPAC1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3cc(Cl)ccn3)CC2)CC1
InChIInChI=1S/C22H27ClN4O2/c1-16(28)26-11-5-17(6-12-26)20-3-2-9-25-22(20)29-19-7-13-27(14-8-19)21-15-18(23)4-10-24-21/h2-4,9-10,15,17,19H,5-8,11-14H2,1H3
InChIKeyLUNJTEJQUFVGAS-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 58548110) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID58548110
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCN(c3cc(Cl)ccn3)CC2)CC1
InChIInChI=1S/C22H27ClN4O2/c1-16(28)26-11-5-17(6-12-26)20-3-2-9-25-22(20)29-19-7-13-27(14-8-19)21-15-18(23)4-10-24-21/h2-4,9-10,15,17,19H,5-8,11-14H2,1H3
InChIKeyLUNJTEJQUFVGAS-UHFFFAOYSA-N
XLogP3.90
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-1-[4-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]propan-1-one
CID 59373933
1-[3-[2-[4-[(5-Methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374199
1-[4-[2-[4-[(5-Chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]-1-piperidinyl]ethanone
CID 59374303
[4-[(5-Methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155569329
2-[1-(5-Bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 54670580
5-chloro-N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]pyridin-2-amine
CID 54761726
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloro-2-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 56591856
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloro-2-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]methanone
CID 56591943
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloro-2-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanone
CID 56592033
[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone
CID 56592115
6-[4-[[3-(Oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]pyridine-3-carbonitrile
CID 58547797
2-[1-(5-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547820

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 58548110) is 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CCN(c3cc(Cl)ccn3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is LUNJTEJQUFVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-16(28)26-11-5-17(6-12-26)20-3-2-9-25-22(20)29-19-7-13-27(14-8-19)21-15-18(23)4-10-24-21/h2-4,9-10,15,17,19H,5-8,11-14H2,1H3.
What are the key properties of 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 414.94 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58548110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).