1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C19H36N2O2 — CID 172511180

IUPAC1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)OCC1CCCN(C(=O)CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H36N2O2/c1-15(2)20-10-7-17(8-11-20)12-19(22)21-9-5-6-18(13-21)14-23-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyDCBRPINBVPGHFI-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.16
Rot. Bonds6

About 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 172511180) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID172511180
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)OCC1CCCN(C(=O)CC2CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H36N2O2/c1-15(2)20-10-7-17(8-11-20)12-19(22)21-9-5-6-18(13-21)14-23-16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyDCBRPINBVPGHFI-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-Acetylpiperidin-4-YL)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150917
2-(1-isopropyl-4-piperidyl)-N-methyl-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 71686936
2-Ethyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916415
5-Methoxy-2-methyl-1-(3-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 84597162
(4S)-1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
CID 94632366
1-Methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
CID 75461750
1-(4-Butoxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 70839566
N,2,2-trimethyl-N-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 132176663
[3-[4-(2,2-Dimethylpropyl)piperidin-1-yl]cyclobutyl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]methanone
CID 139546256
[4-(2-Methoxyethyl)piperidin-1-yl]-[3-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methanone
CID 139576900
[3-(4-Ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 139576913
[3-(4-Ethylpiperidin-1-yl)cyclobutyl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]methanone
CID 146340015

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 172511180) is 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)OCC1CCCN(C(=O)CC2CCN(C(C)C)CC2)C1.
What is the InChIKey of 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is DCBRPINBVPGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(2)20-10-7-17(8-11-20)12-19(22)21-9-5-6-18(13-21)14-23-16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 324.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 172511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).