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

C18H32N2O — CID 176739994

IUPAC2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one
SMILESCC1CCN(C2(C3CCN(C(=O)C(C)C)CC3)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-14(2)17(21)19-10-6-16(7-11-19)18(8-9-18)20-12-4-15(3)5-13-20/h14-16H,4-13H2,1-3H3
InChIKeyQRNUYRFHVNIBAE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.15
Rot. Bonds3

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

2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one (PubChem CID 176739994) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one
PubChem CID176739994
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one
SMILESCC1CCN(C2(C3CCN(C(=O)C(C)C)CC3)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-14(2)17(21)19-10-6-16(7-11-19)18(8-9-18)20-12-4-15(3)5-13-20/h14-16H,4-13H2,1-3H3
InChIKeyQRNUYRFHVNIBAE-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114649
4-[1-(4-Methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
CID 176968506
1-[4-Fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 177302132
1,1'-(4,4'-Bipiperidine-1,1'-diyl)diethanone
CID 458610
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-N-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]acetamide
CID 53986759
(4-Piperidin-1-ylpiperidin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
CID 58584508
1-(4-Piperidin-1-ylpiperidin-1-yl)-2-(1-propan-2-ylcyclopropyl)ethanone
CID 58584549
1-[4-(2-Methylpropyl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 59001090
3-Piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 59542470
4-Piperidin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 59542526
2-Methyl-1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]propan-1-one
CID 59639430
1-[4-(4-Methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59639466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one (CID 176739994) is 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one is CC1CCN(C2(C3CCN(C(=O)C(C)C)CC3)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one?
The InChIKey is QRNUYRFHVNIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)17(21)19-10-6-16(7-11-19)18(8-9-18)20-12-4-15(3)5-13-20/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one has a molecular weight of 292.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176739994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).