N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

C18H29Cl2N3O4 — CID 119898772

IUPACN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)C3CNCCO3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O4.2ClH/c1-23-15-7-14(8-16(9-15)24-2)21-5-3-13(12-21)10-20-18(22)17-11-19-4-6-25-17;;/h7-9,13,17,19H,3-6,10-12H2,1-2H3,(H,20,22);2*1H
InChIKeyCSOOZKHWEAVSGC-UHFFFAOYSA-N
MW422.35 g/mol
LogP1.48
Rot. Bonds6

About N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride

N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119898772) has the molecular formula C18H29Cl2N3O4 and a molecular weight of 422.35 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119898772
Molecular FormulaC18H29Cl2N3O4
Molecular Weight422.35 g/mol
Exact Mass421.15
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)C3CNCCO3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O4.2ClH/c1-23-15-7-14(8-16(9-15)24-2)21-5-3-13(12-21)10-20-18(22)17-11-19-4-6-25-17;;/h7-9,13,17,19H,3-6,10-12H2,1-2H3,(H,20,22);2*1H
InChIKeyCSOOZKHWEAVSGC-UHFFFAOYSA-N
XLogP1.48
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119864049
(1S,5R)-N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 99848777
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119898742
N-[[(3S)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]oxazinane-2-carboxamide
CID 124847105
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
(2S)-N-(cyclobutylmethyl)morpholine-2-carboxamide;hydrochloride
CID 131065842
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119866991
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
(2S)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]butanamide
CID 119898755
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride (CID 119898772) is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is COc1cc(OC)cc(N2CCC(CNC(=O)C3CNCCO3)C2)c1.Cl.Cl.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is CSOOZKHWEAVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.2ClH/c1-23-15-7-14(8-16(9-15)24-2)21-5-3-13(12-21)10-20-18(22)17-11-19-4-6-25-17;;/h7-9,13,17,19H,3-6,10-12H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride?
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 422.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119898772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).