[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C18H27ClN4O — CID 90700065

IUPAC[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3c(C)cncc3Cl)CC2)CC1
InChIInChI=1S/C18H27ClN4O/c1-3-21-8-10-23(11-9-21)18(24)15-4-6-22(7-5-15)17-14(2)12-20-13-16(17)19/h12-13,15H,3-11H2,1-2H3
InChIKeyZBDNGHQSYJHWOE-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.42
Rot. Bonds3

About [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 90700065) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID90700065
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3c(C)cncc3Cl)CC2)CC1
InChIInChI=1S/C18H27ClN4O/c1-3-21-8-10-23(11-9-21)18(24)15-4-6-22(7-5-15)17-14(2)12-20-13-16(17)19/h12-13,15H,3-11H2,1-2H3
InChIKeyZBDNGHQSYJHWOE-UHFFFAOYSA-N
XLogP2.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(4-ethylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600260
2-benzyl-4-[1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonyl]piperazine-1-carboxylic acid
CID 67338817
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165758
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone;oxalic acid
CID 126469034
(4-ethylpiperazin-1-yl)-[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanone
CID 53129921
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 86976049
1-(3-bromo-5-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 90774248
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
[1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 20920358
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 90700065) is [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCN(c3c(C)cncc3Cl)CC2)CC1.
What is the InChIKey of [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ZBDNGHQSYJHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-3-21-8-10-23(11-9-21)18(24)15-4-6-22(7-5-15)17-14(2)12-20-13-16(17)19/h12-13,15H,3-11H2,1-2H3.
What are the key properties of [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 350.89 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-methyl-4-pyridinyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 90700065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).