N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride

C20H37Cl2N5O3 — CID 119479811

IUPACN-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O.Cl.Cl
InChIInChI=1S/C20H35N5O3.2ClH/c1-2-23-9-4-6-17(23)14-25-13-16(11-18(25)26)20(28)24-10-3-5-15(12-24)19(27)22-8-7-21;;/h15-17H,2-14,21H2,1H3,(H,22,27);2*1H
InChIKeyJYBIKSPLGFMVIF-UHFFFAOYSA-N
MW466.45 g/mol
LogP0.48
Rot. Bonds7

About N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479811) has the molecular formula C20H37Cl2N5O3 and a molecular weight of 466.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119479811
Molecular FormulaC20H37Cl2N5O3
Molecular Weight466.45 g/mol
Exact Mass465.23
IUPAC NameN-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
SMILESCCN1CCCC1CN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O.Cl.Cl
InChIInChI=1S/C20H35N5O3.2ClH/c1-2-23-9-4-6-17(23)14-25-13-16(11-18(25)26)20(28)24-10-3-5-15(12-24)19(27)22-8-7-21;;/h15-17H,2-14,21H2,1H3,(H,22,27);2*1H
InChIKeyJYBIKSPLGFMVIF-UHFFFAOYSA-N
XLogP0.48
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 119560421
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one;dihydrochloride
CID 119662054
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119534166
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
(2S)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119361052
(2R)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363378

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride (CID 119479811) is N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride is CCN1CCCC1CN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is JYBIKSPLGFMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3.2ClH/c1-2-23-9-4-6-17(23)14-25-13-16(11-18(25)26)20(28)24-10-3-5-15(12-24)19(27)22-8-7-21;;/h15-17H,2-14,21H2,1H3,(H,22,27);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 466.45 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).