(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone

C19H30N4OS — CID 46377940

IUPAC(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(SCCN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4OS/c1-2-21-10-12-23(13-11-21)19(24)17-6-7-18(20-16-17)25-15-14-22-8-4-3-5-9-22/h6-7,16H,2-5,8-15H2,1H3
InChIKeyQZUCAAWRKFWKBL-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.44
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone (PubChem CID 46377940) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
PubChem CID46377940
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(SCCN3CCCCC3)nc2)CC1
InChIInChI=1S/C19H30N4OS/c1-2-21-10-12-23(13-11-21)19(24)17-6-7-18(20-16-17)25-15-14-22-8-4-3-5-9-22/h6-7,16H,2-5,8-15H2,1H3
InChIKeyQZUCAAWRKFWKBL-UHFFFAOYSA-N
XLogP2.44
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377949
N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
ethyl 1-[6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonyl]piperidine-3-carboxylate
CID 46377990
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethyl]benzonitrile
CID 146107246
(6-methyl-3-pyridinyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56822431
[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166239507
[6-[3-(4-methoxyphenoxy)propylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55578558
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
[6-[2-(4-chlorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55535867
[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 47021058
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone (CID 46377940) is (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(SCCN3CCCCC3)nc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone?
The InChIKey is QZUCAAWRKFWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-2-21-10-12-23(13-11-21)19(24)17-6-7-18(20-16-17)25-15-14-22-8-4-3-5-9-22/h6-7,16H,2-5,8-15H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone has a molecular weight of 362.54 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46377940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).