N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119780111

IUPACN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc(C2(CNC(=O)C3COCCN3)CCCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-15-6-4-5-14(11-15)18(7-2-3-8-18)13-20-17(21)16-12-23-10-9-19-16;/h4-6,11,16,19H,2-3,7-10,12-13H2,1H3,(H,20,21);1H
InChIKeyLAGYPVJQHXKQGV-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.03
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119780111) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119780111
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc(C2(CNC(=O)C3COCCN3)CCCC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-15-6-4-5-14(11-15)18(7-2-3-8-18)13-20-17(21)16-12-23-10-9-19-16;/h4-6,11,16,19H,2-3,7-10,12-13H2,1H3,(H,20,21);1H
InChIKeyLAGYPVJQHXKQGV-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915676
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812094
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820354

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119780111) is N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride is COc1cccc(C2(CNC(=O)C3COCCN3)CCCC2)c1.Cl.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is LAGYPVJQHXKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-22-15-6-4-5-14(11-15)18(7-2-3-8-18)13-20-17(21)16-12-23-10-9-19-16;/h4-6,11,16,19H,2-3,7-10,12-13H2,1H3,(H,20,21);1H.
What are the key properties of N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119780111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).