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

C18H29Cl2N3O3 — CID 119899384

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CC3CCCN3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O3.2ClH/c1-23-16-9-15(10-17(11-16)24-2)21-7-5-14(12-21)20-18(22)8-13-4-3-6-19-13;;/h9-11,13-14,19H,3-8,12H2,1-2H3,(H,20,22);2*1H
InChIKeyBFQXAEBIINMHBT-UHFFFAOYSA-N
MW406.35 g/mol
LogP2.38
Rot. Bonds6

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

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119899384) has the molecular formula C18H29Cl2N3O3 and a molecular weight of 406.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119899384
Molecular FormulaC18H29Cl2N3O3
Molecular Weight406.35 g/mol
Exact Mass405.16
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)CC3CCCN3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O3.2ClH/c1-23-16-9-15(10-17(11-16)24-2)21-7-5-14(12-21)20-18(22)8-13-4-3-6-19-13;;/h9-11,13-14,19H,3-8,12H2,1-2H3,(H,20,22);2*1H
InChIKeyBFQXAEBIINMHBT-UHFFFAOYSA-N
XLogP2.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119942543
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873218
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
CID 91644359
2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119733881
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942526
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119899355
N-(1-methylpyrrolidin-3-yl)-2-piperidin-2-ylacetamide
CID 61465166
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119899384) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is COc1cc(OC)cc(N2CCC(NC(=O)CC3CCCN3)C2)c1.Cl.Cl.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is BFQXAEBIINMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.2ClH/c1-23-16-9-15(10-17(11-16)24-2)21-7-5-14(12-21)20-18(22)8-13-4-3-6-19-13;;/h9-11,13-14,19H,3-8,12H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 406.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119899384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).