3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one

C21H38N2O3 — CID 172604985

IUPAC3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
SMILESCC(C)OCC(=O)N1CCC(CC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-16(2)20(24)14-22-9-5-18(6-10-22)13-19-7-11-23(12-8-19)21(25)15-26-17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyGYRDPJBNELLKNN-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.98
Rot. Bonds8

About 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one

3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one (PubChem CID 172604985) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
PubChem CID172604985
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Name3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
SMILESCC(C)OCC(=O)N1CCC(CC2CCN(CC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-16(2)20(24)14-22-9-5-18(6-10-22)13-19-7-11-23(12-8-19)21(25)15-26-17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyGYRDPJBNELLKNN-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one with MolForge

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
CID 118137210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one (CID 172604985) is 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one is CC(C)OCC(=O)N1CCC(CC2CCN(CC(=O)C(C)C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The InChIKey is GYRDPJBNELLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-16(2)20(24)14-22-9-5-18(6-10-22)13-19-7-11-23(12-8-19)21(25)15-26-17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one has a molecular weight of 366.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 172604985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).