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

C17H32Cl2N4O2 — CID 119550702

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N(C)C2CCNC2)CC1=O.Cl.Cl
InChIInChI=1S/C17H30N4O2.2ClH/c1-3-20-8-4-5-15(20)12-21-11-13(9-16(21)22)17(23)19(2)14-6-7-18-10-14;;/h13-15,18H,3-12H2,1-2H3;2*1H
InChIKeyCTLUSMNNGLCXJB-UHFFFAOYSA-N
MW395.38 g/mol
LogP0.98
Rot. Bonds5

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

1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119550702) has the molecular formula C17H32Cl2N4O2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119550702
Molecular FormulaC17H32Cl2N4O2
Molecular Weight395.38 g/mol
Exact Mass394.19
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N(C)C2CCNC2)CC1=O.Cl.Cl
InChIInChI=1S/C17H30N4O2.2ClH/c1-3-20-8-4-5-15(20)12-21-11-13(9-16(21)22)17(23)19(2)14-6-7-18-10-14;;/h13-15,18H,3-12H2,1-2H3;2*1H
InChIKeyCTLUSMNNGLCXJB-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119534166
1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119552395
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866
N-methyl-1-[(4-methylphenyl)methyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119551929
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 119560421
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120600386
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (CID 119550702) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is CCN1CCCC1CN1CC(C(=O)N(C)C2CCNC2)CC1=O.Cl.Cl.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is CTLUSMNNGLCXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.2ClH/c1-3-20-8-4-5-15(20)12-21-11-13(9-16(21)22)17(23)19(2)14-6-7-18-10-14;;/h13-15,18H,3-12H2,1-2H3;2*1H.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).