1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

C17H30N2O2 — CID 42943843

IUPAC1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(C(=O)C2CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)16(20)18-7-5-15(6-8-18)17(21)19-10-13(3)9-14(4)11-19/h12-15H,5-11H2,1-4H3
InChIKeyNJILXTAAOAMYLH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.39
Rot. Bonds2

About 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 42943843) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID42943843
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(C(=O)C2CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C17H30N2O2/c1-12(2)16(20)18-7-5-15(6-8-18)17(21)19-10-13(3)9-14(4)11-19/h12-15H,5-11H2,1-4H3
InChIKeyNJILXTAAOAMYLH-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
Ketone, 1-methyl-3-piperidyl piperidino
CID 218423
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
N,N-dimethyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 97520888
2-Chloro-1-(4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl)ethan-1-one
CID 54592483
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889
1-acetyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501895
N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 97406503
1-[1-(cyclopropylmethyl)piperidin-4-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 97406504
1-(1-ethylpiperidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 97520889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one (CID 42943843) is 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one is CC1CC(C)CN(C(=O)C2CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is NJILXTAAOAMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-12(2)16(20)18-7-5-15(6-8-18)17(21)19-10-13(3)9-14(4)11-19/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 42943843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).