(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H23ClN2O — CID 81227303

IUPAC(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cnc(C)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-4-16(5-2)6-8-19(9-7-16)15(20)13-11-18-12(3)10-14(13)17/h10-11H,4-9H2,1-3H3
InChIKeyDARWFCOXYFTZQR-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.09
Rot. Bonds3

About (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone

(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 81227303) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID81227303
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cnc(C)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-4-16(5-2)6-8-19(9-7-16)15(20)13-11-18-12(3)10-14(13)17/h10-11H,4-9H2,1-3H3
InChIKeyDARWFCOXYFTZQR-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81226375
(4-chloro-6-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835755
(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
(4-chloro-6-methyl-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103863071
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
(4-chloro-6-methyl-3-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624918
(4-chloro-6-methyl-3-pyridinyl)-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114217672
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(4-chloro-6-methyl-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81226550

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 81227303) is (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cnc(C)cc2Cl)CC1.
What is the InChIKey of (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is DARWFCOXYFTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-16(5-2)6-8-19(9-7-16)15(20)13-11-18-12(3)10-14(13)17/h10-11H,4-9H2,1-3H3.
What are the key properties of (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 294.83 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81227303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).