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

C16H30ClN3O2 — CID 119492016

IUPAC1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)18-9-4-7-13(11-18)16(21)19-10-5-8-14(12-19)17-2;/h13-14,17H,3-12H2,1-2H3;1H
InChIKeyPLKILOYDODUNHH-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.66
Rot. Bonds4

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

1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119492016) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119492016
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)18-9-4-7-13(11-18)16(21)19-10-5-8-14(12-19)17-2;/h13-14,17H,3-12H2,1-2H3;1H
InChIKeyPLKILOYDODUNHH-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119423719
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (CID 119492016) is 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCC(C(=O)N2CCCC(NC)C2)C1.Cl.
What is the InChIKey of 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is PLKILOYDODUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-6-15(20)18-9-4-7-13(11-18)16(21)19-10-5-8-14(12-19)17-2;/h13-14,17H,3-12H2,1-2H3;1H.
What are the key properties of 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119492016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).