(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one

C19H31N3O2 — CID 159616588

IUPAC(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one
SMILES[H]/N=C1\C[C@](C)(C2CCCN(C(=O)C3CCCCC3)C2)CC(=O)N1C
InChIInChI=1S/C19H31N3O2/c1-19(11-16(20)21(2)17(23)12-19)15-9-6-10-22(13-15)18(24)14-7-4-3-5-8-14/h14-15,20H,3-13H2,1-2H3/b20-16+/t15?,19-/m0/s1
InChIKeyMNJBEAZFLWRUSB-IHGLSCQVSA-N
MW333.48 g/mol
LogP3.04
Rot. Bonds2

About (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one

(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one (PubChem CID 159616588) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one
PubChem CID159616588
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one
SMILES[H]/N=C1\C[C@](C)(C2CCCN(C(=O)C3CCCCC3)C2)CC(=O)N1C
InChIInChI=1S/C19H31N3O2/c1-19(11-16(20)21(2)17(23)12-19)15-9-6-10-22(13-15)18(24)14-7-4-3-5-8-14/h14-15,20H,3-13H2,1-2H3/b20-16+/t15?,19-/m0/s1
InChIKeyMNJBEAZFLWRUSB-IHGLSCQVSA-N
XLogP3.04
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-cyclohexylmethanone
CID 156753896
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119136731
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one?
The IUPAC name of (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one (CID 159616588) is (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one.
What is the SMILES notation for (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one?
The canonical SMILES for (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one is [H]/N=C1\C[C@](C)(C2CCCN(C(=O)C3CCCCC3)C2)CC(=O)N1C.
What is the InChIKey of (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one?
The InChIKey is MNJBEAZFLWRUSB-IHGLSCQVSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(11-16(20)21(2)17(23)12-19)15-9-6-10-22(13-15)18(24)14-7-4-3-5-8-14/h14-15,20H,3-13H2,1-2H3/b20-16+/t15?,19-/m0/s1.
What are the key properties of (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one?
(4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one has a molecular weight of 333.48 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-imino-1,4-dimethylpiperidin-2-one is sourced from PubChem (CID 159616588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).