1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride

C16H30ClN3O2 — CID 119592957

IUPAC1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)19-10-5-8-14(19)16(21)18-9-4-7-13(11-18)12(2)17;/h12-14H,3-11,17H2,1-2H3;1H
InChIKeyRXQLVVBBMNHVCT-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.79
Rot. Bonds4

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

1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119592957) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
PubChem CID119592957
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)19-10-5-8-14(19)16(21)18-9-4-7-13(11-18)12(2)17;/h12-14H,3-11,17H2,1-2H3;1H
InChIKeyRXQLVVBBMNHVCT-UHFFFAOYSA-N
XLogP1.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119516970
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119594164
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119596429
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119593326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119592957) is 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCC1C(=O)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is RXQLVVBBMNHVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)19-10-5-8-14(19)16(21)18-9-4-7-13(11-18)12(2)17;/h12-14H,3-11,17H2,1-2H3;1H.
What are the key properties of 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119592957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).