1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

C18H34ClN3O2 — CID 119435128

IUPAC1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(C)N)C1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-4-13(2)17(22)20-10-7-8-15(12-20)18(23)21-11-6-5-9-16(21)14(3)19;/h13-16H,4-12,19H2,1-3H3;1H
InChIKeyJGSVNNQNODJHBJ-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 119435128) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID119435128
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC Name1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(C)N)C1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-4-13(2)17(22)20-10-7-8-15(12-20)18(23)21-11-6-5-9-16(21)14(3)19;/h13-16H,4-12,19H2,1-3H3;1H
InChIKeyJGSVNNQNODJHBJ-UHFFFAOYSA-N
XLogP2.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (CID 119435128) is 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is CCC(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(C)N)C1.Cl.
What is the InChIKey of 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is JGSVNNQNODJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-4-13(2)17(22)20-10-7-8-15(12-20)18(23)21-11-6-5-9-16(21)14(3)19;/h13-16H,4-12,19H2,1-3H3;1H.
What are the key properties of 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 119435128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).