N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119900435

IUPACN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13(19-17(21)16-12-18-7-10-22-16)14-5-4-6-15(11-14)20-8-2-3-9-20;;/h4-6,11,13,16,18H,2-3,7-10,12H2,1H3,(H,19,21);2*1H
InChIKeyRLJWLQSZWNGFBO-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119900435) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119900435
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(N2CCCC2)c1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13(19-17(21)16-12-18-7-10-22-16)14-5-4-6-15(11-14)20-8-2-3-9-20;;/h4-6,11,13,16,18H,2-3,7-10,12H2,1H3,(H,19,21);2*1H
InChIKeyRLJWLQSZWNGFBO-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119788735
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CID 119685359
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119900377
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119755952
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
CID 119900427

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride (CID 119900435) is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride is CC(NC(=O)C1CNCCO1)c1cccc(N2CCCC2)c1.Cl.Cl.
What is the InChIKey of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is RLJWLQSZWNGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-13(19-17(21)16-12-18-7-10-22-16)14-5-4-6-15(11-14)20-8-2-3-9-20;;/h4-6,11,13,16,18H,2-3,7-10,12H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119900435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).