N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119866991

IUPACN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(CCc2ccccc2)C1)C1CNCCO1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-13-19-8-11-23-17)20-12-16-7-10-21(14-16)9-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H
InChIKeyUYAZSBLYXUUIOY-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.50
Rot. Bonds6

About N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119866991) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119866991
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(CCc2ccccc2)C1)C1CNCCO1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-13-19-8-11-23-17)20-12-16-7-10-21(14-16)9-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H
InChIKeyUYAZSBLYXUUIOY-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081520
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 136523505
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119898772
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119864049
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (CID 119866991) is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCN(CCc2ccccc2)C1)C1CNCCO1.
What is the InChIKey of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is UYAZSBLYXUUIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c22-18(17-13-19-8-11-23-17)20-12-16-7-10-21(14-16)9-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H.
What are the key properties of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119866991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).