3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride

C16H23ClN2O3 — CID 171710974

IUPAC3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-8-13(11-4-2-5-11)21-16(20)14(10)15(19)18-7-3-6-12(17)9-18;/h8,11-12H,2-7,9,17H2,1H3;1H
InChIKeyMNRDMMKADBRBEH-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.20
Rot. Bonds2

About 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride

3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride (PubChem CID 171710974) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
PubChem CID171710974
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-8-13(11-4-2-5-11)21-16(20)14(10)15(19)18-7-3-6-12(17)9-18;/h8,11-12H,2-7,9,17H2,1H3;1H
InChIKeyMNRDMMKADBRBEH-UHFFFAOYSA-N
XLogP2.20
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
3-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170505702
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 171386250
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
3-(3-aminopiperidine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 170509756
3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
CID 170509556

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride?
The IUPAC name of 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride (CID 171710974) is 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride?
The InChIKey is MNRDMMKADBRBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-10-8-13(11-4-2-5-11)21-16(20)14(10)15(19)18-7-3-6-12(17)9-18;/h8,11-12H,2-7,9,17H2,1H3;1H.
What are the key properties of 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride?
3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride is sourced from PubChem (CID 171710974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).