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

C15H28ClN3O2 — CID 119487872

IUPAC1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-6-14(19)18-10-5-8-13(18)15(20)17-9-4-7-12(11-17)16-2;/h12-13,16H,3-11H2,1-2H3;1H
InChIKeyVJUUFNNLRNXNLJ-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.41
Rot. Bonds4

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

1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119487872) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
PubChem CID119487872
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-6-14(19)18-10-5-8-13(18)15(20)17-9-4-7-12(11-17)16-2;/h12-13,16H,3-11H2,1-2H3;1H
InChIKeyVJUUFNNLRNXNLJ-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957
(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119490463
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[2-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 127304661
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488511
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119487872) is 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCC1C(=O)N1CCCC(NC)C1.Cl.
What is the InChIKey of 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is VJUUFNNLRNXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-3-6-14(19)18-10-5-8-13(18)15(20)17-9-4-7-12(11-17)16-2;/h12-13,16H,3-11H2,1-2H3;1H.
What are the key properties of 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride?
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119487872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).