N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride

C16H32Cl2N4O2 — CID 119479435

IUPACN-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCCCN1CCCC1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-2-9-19-10-4-6-14(19)16(22)20-11-3-5-13(12-20)15(21)18-8-7-17;;/h13-14H,2-12,17H2,1H3,(H,18,21);2*1H
InChIKeyWBELJQJPRWYJSV-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.02
Rot. Bonds6

About N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479435) has the molecular formula C16H32Cl2N4O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119479435
Molecular FormulaC16H32Cl2N4O2
Molecular Weight383.36 g/mol
Exact Mass382.19
IUPAC NameN-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCCCN1CCCC1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-2-9-19-10-4-6-14(19)16(22)20-11-3-5-13(12-20)15(21)18-8-7-17;;/h13-14H,2-12,17H2,1H3,(H,18,21);2*1H
InChIKeyWBELJQJPRWYJSV-UHFFFAOYSA-N
XLogP1.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 119480372
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
CID 125146439
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 125147204
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
CID 107180717
N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119479811
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 119479435) is N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride is CCCN1CCCC1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is WBELJQJPRWYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.2ClH/c1-2-9-19-10-4-6-14(19)16(22)20-11-3-5-13(12-20)15(21)18-8-7-17;;/h13-14H,2-12,17H2,1H3,(H,18,21);2*1H.
What are the key properties of N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).