1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride

C18H34Cl2N4O2 — CID 119560421

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N2CCC(NC)CC2)CC1=O.Cl.Cl
InChIInChI=1S/C18H32N4O2.2ClH/c1-3-20-8-4-5-16(20)13-22-12-14(11-17(22)23)18(24)21-9-6-15(19-2)7-10-21;;/h14-16,19H,3-13H2,1-2H3;2*1H
InChIKeyKTHUOWNJSDJCPF-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.37
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride

1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 119560421) has the molecular formula C18H34Cl2N4O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
PubChem CID119560421
Molecular FormulaC18H34Cl2N4O2
Molecular Weight409.40 g/mol
Exact Mass408.21
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N2CCC(NC)CC2)CC1=O.Cl.Cl
InChIInChI=1S/C18H32N4O2.2ClH/c1-3-20-8-4-5-16(20)13-22-12-14(11-17(22)23)18(24)21-9-6-15(19-2)7-10-21;;/h14-16,19H,3-13H2,1-2H3;2*1H
InChIKeyKTHUOWNJSDJCPF-UHFFFAOYSA-N
XLogP1.37
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one;dihydrochloride
CID 119662054
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
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-(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
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572011
(3S)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572012
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120600386
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
(2S)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361052

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride (CID 119560421) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride is CCN1CCCC1CN1CC(C(=O)N2CCC(NC)CC2)CC1=O.Cl.Cl.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is KTHUOWNJSDJCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.2ClH/c1-3-20-8-4-5-16(20)13-22-12-14(11-17(22)23)18(24)21-9-6-15(19-2)7-10-21;;/h14-16,19H,3-13H2,1-2H3;2*1H.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride?
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 409.40 g/mol, XLogP of 1.37, 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]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 119560421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).