N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 119831374

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(c1ccccc1)N1CCCC1)C1COCCN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-17(15-13-22-11-8-18-15)19-12-16(20-9-4-5-10-20)14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H
InChIKeyMGVPSQMZVGWJKL-UHFFFAOYSA-N
MW376.33 g/mol
LogP1.77
Rot. Bonds5

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride

N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119831374) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119831374
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(c1ccccc1)N1CCCC1)C1COCCN1
InChIInChI=1S/C17H25N3O2.2ClH/c21-17(15-13-22-11-8-18-15)19-12-16(20-9-4-5-10-20)14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H
InChIKeyMGVPSQMZVGWJKL-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119866459
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 119867123
(3R)-N-[(2S)-2,3-diphenylpropyl]morpholine-3-carboxamide
CID 124699410
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)morpholine-3-carboxamide;dihydrochloride
CID 119842166
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
CID 119899958
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride (CID 119831374) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(c1ccccc1)N1CCCC1)C1COCCN1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is MGVPSQMZVGWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-17(15-13-22-11-8-18-15)19-12-16(20-9-4-5-10-20)14-6-2-1-3-7-14;;/h1-3,6-7,15-16,18H,4-5,8-13H2,(H,19,21);2*1H.
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119831374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).