1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride

C18H34Cl2N4O2 — CID 119534166

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)NCCC2CCNC2)CC1=O.Cl.Cl
InChIInChI=1S/C18H32N4O2.2ClH/c1-2-21-9-3-4-16(21)13-22-12-15(10-17(22)23)18(24)20-8-6-14-5-7-19-11-14;;/h14-16,19H,2-13H2,1H3,(H,20,24);2*1H
InChIKeyQVWFMDZGYBJVLD-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.28
Rot. Bonds7

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride

1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119534166) has the molecular formula C18H34Cl2N4O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119534166
Molecular FormulaC18H34Cl2N4O2
Molecular Weight409.40 g/mol
Exact Mass408.21
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)NCCC2CCNC2)CC1=O.Cl.Cl
InChIInChI=1S/C18H32N4O2.2ClH/c1-2-21-9-3-4-16(21)13-22-12-15(10-17(22)23)18(24)20-8-6-14-5-7-19-11-14;;/h14-16,19H,2-13H2,1H3,(H,20,24);2*1H
InChIKeyQVWFMDZGYBJVLD-UHFFFAOYSA-N
XLogP1.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119550702
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119479811
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120600386
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
1-(2-methoxyethyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119555111
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 119534166) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride is CCN1CCCC1CN1CC(C(=O)NCCC2CCNC2)CC1=O.Cl.Cl.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is QVWFMDZGYBJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.2ClH/c1-2-21-9-3-4-16(21)13-22-12-15(10-17(22)23)18(24)20-8-6-14-5-7-19-11-14;;/h14-16,19H,2-13H2,1H3,(H,20,24);2*1H.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride?
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 409.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119534166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).