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

C16H29NO2 — CID 163992865

IUPAC2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1CCOCC1
InChIInChI=1S/C16H29NO2/c1-13(2)16(18)17-10-4-3-5-15(17)7-6-14-8-11-19-12-9-14/h13-15H,3-12H2,1-2H3
InChIKeyUCEKLQPDVLLDHU-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds4

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

2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 163992865) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID163992865
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1CCOCC1
InChIInChI=1S/C16H29NO2/c1-13(2)16(18)17-10-4-3-5-15(17)7-6-14-8-11-19-12-9-14/h13-15H,3-12H2,1-2H3
InChIKeyUCEKLQPDVLLDHU-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one 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-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163969592
1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 163854498
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
3-methyl-1-[2-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]butane-1,2-dione
CID 167680940
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one (CID 163992865) is 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCCC1CCC1CCOCC1.
What is the InChIKey of 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is UCEKLQPDVLLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(2)16(18)17-10-4-3-5-15(17)7-6-14-8-11-19-12-9-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 267.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 163992865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).