2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one

C18H34N2O — CID 166113429

IUPAC2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-16-6-10-19(11-7-16)14-17-8-12-20(13-9-17)18(21)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyJOUAMKSDHHRFGA-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 166113429) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID166113429
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O/c1-4-5-16-6-10-19(11-7-16)14-17-8-12-20(13-9-17)18(21)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyJOUAMKSDHHRFGA-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
2-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethyl]piperidin-1-yl]propan-1-one
CID 174254854
ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 156707654
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172604246
2-(4-propylpiperidine-1-carbonyl)butanenitrile
CID 62206665
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 166113429) is 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one is CCCC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JOUAMKSDHHRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-5-16-6-10-19(11-7-16)14-17-8-12-20(13-9-17)18(21)15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 166113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).