ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate

C23H34N2O4 — CID 167615166

IUPACethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CN(c2cncc(OCC3CCC(C)CC3)c2)CCO1
InChIInChI=1S/C23H34N2O4/c1-3-27-23(26)21-11-20(21)22-14-25(8-9-28-22)18-10-19(13-24-12-18)29-15-17-6-4-16(2)5-7-17/h10,12-13,16-17,20-22H,3-9,11,14-15H2,1-2H3
InChIKeyHHZFWZPFRCPWCH-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.69
Rot. Bonds7

About ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate

ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate (PubChem CID 167615166) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate
PubChem CID167615166
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nameethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CN(c2cncc(OCC3CCC(C)CC3)c2)CCO1
InChIInChI=1S/C23H34N2O4/c1-3-27-23(26)21-11-20(21)22-14-25(8-9-28-22)18-10-19(13-24-12-18)29-15-17-6-4-16(2)5-7-17/h10,12-13,16-17,20-22H,3-9,11,14-15H2,1-2H3
InChIKeyHHZFWZPFRCPWCH-UHFFFAOYSA-N
XLogP3.69
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

2-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
CID 175624835
1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
CID 167659976
3-methyl-6-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-2-carboxylic acid
CID 167688820
ethyl 2-[6-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
CID 167567003
3-[(2S)-4-[5-[(1-ethylpiperidin-4-yl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid
CID 167613073
2-[4-[5-[(4-methylphenyl)methoxy]-3-pyridinyl]morpholin-2-yl]pyridine-4-carboxylic acid
CID 167542361
4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
CID 175625254
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
3-[(2S)-4-[5-[(4-chlorophenyl)methoxy]-3-pyridinyl]morpholin-2-yl]propanoic acid;sulfane
CID 167674957
5-[(4-aminocyclohexyl)methoxy]pyridine-3-carboxamide
CID 126674827

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate (CID 167615166) is ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C1CN(c2cncc(OCC3CCC(C)CC3)c2)CCO1.
What is the InChIKey of ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate?
The InChIKey is HHZFWZPFRCPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-27-23(26)21-11-20(21)22-14-25(8-9-28-22)18-10-19(13-24-12-18)29-15-17-6-4-16(2)5-7-17/h10,12-13,16-17,20-22H,3-9,11,14-15H2,1-2H3.
What are the key properties of ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate?
ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 167615166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).