2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile

C20H20ClN3O2 — CID 163931755

IUPAC2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
SMILESCCc1cccnc1C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-2-14-4-3-9-23-19(14)20(25)24-10-7-16(8-11-24)26-17-6-5-15(13-22)18(21)12-17/h3-6,9,12,16H,2,7-8,10-11H2,1H3
InChIKeyRJFUQNQRSMGMPE-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile

2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile (PubChem CID 163931755) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
PubChem CID163931755
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile
SMILESCCc1cccnc1C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-2-14-4-3-9-23-19(14)20(25)24-10-7-16(8-11-24)26-17-6-5-15(13-22)18(21)12-17/h3-6,9,12,16H,2,7-8,10-11H2,1H3
InChIKeyRJFUQNQRSMGMPE-UHFFFAOYSA-N
XLogP3.85
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl) 4-(3-chloro-4-cyanophenoxy)piperidine-1-carboxylate
CID 162438921
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
2-chloro-4-[1-[4-(2-methylpropanoyl)phenyl]piperidin-4-yl]oxybenzonitrile
CID 162438843
5-[4-(3-chloro-4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710305
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
4-[(2-benzoyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)oxy]-2-chlorobenzonitrile
CID 155219191
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-[1-(3-chloropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-ethylphenoxy)benzaldehyde
CID 156814694

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile (CID 163931755) is 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile is CCc1cccnc1C(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is RJFUQNQRSMGMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-14-4-3-9-23-19(14)20(25)24-10-7-16(8-11-24)26-17-6-5-15(13-22)18(21)12-17/h3-6,9,12,16H,2,7-8,10-11H2,1H3.
What are the key properties of 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile?
2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 369.85 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(3-ethylpyridine-2-carbonyl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 163931755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).