methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate

C19H29N3O2 — CID 22492996

IUPACmethyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCCC1CCC(N2CCN(c3ccc(C(=O)OC)cn3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-15-4-7-17(8-5-15)21-10-12-22(13-11-21)18-9-6-16(14-20-18)19(23)24-2/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3
InChIKeyGNWWQSOBKIQEMC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.96
Rot. Bonds4

About methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate

methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 22492996) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
PubChem CID22492996
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Namemethyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCCC1CCC(N2CCN(c3ccc(C(=O)OC)cn3)CC2)CC1
InChIInChI=1S/C19H29N3O2/c1-3-15-4-7-17(8-5-15)21-10-12-22(13-11-21)18-9-6-16(14-20-18)19(23)24-2/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3
InChIKeyGNWWQSOBKIQEMC-UHFFFAOYSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 66589828
methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
CID 134258128
methyl 2-(4-cyclopropyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 66589974
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133315644
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
benzyl 6-[7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyridine-3-carboxylate
CID 134414344
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate (CID 22492996) is methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate is CCC1CCC(N2CCN(c3ccc(C(=O)OC)cn3)CC2)CC1.
What is the InChIKey of methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is GNWWQSOBKIQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-15-4-7-17(8-5-15)21-10-12-22(13-11-21)18-9-6-16(14-20-18)19(23)24-2/h6,9,14-15,17H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate?
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 22492996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).