ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one

C13H27NO — CID 142558252

IUPACethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C11H21NO.C2H6/c1-4-11(13)12-8-6-5-7-10(12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyPDPKVPWKFSQKEW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds2

About ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one

ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 142558252) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID142558252
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCCCC1C(C)C
InChIInChI=1S/C11H21NO.C2H6/c1-4-11(13)12-8-6-5-7-10(12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyPDPKVPWKFSQKEW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-(2-propan-2-ylpiperidin-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

1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
CID 99808840
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119788481
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119326458
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119326462
4-[3-oxo-3-(2-propan-2-ylpiperidin-1-yl)propyl]benzoic acid
CID 119185460

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one (CID 142558252) is ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one is CC.CCC(=O)N1CCCCC1C(C)C.
What is the InChIKey of ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is PDPKVPWKFSQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c1-4-11(13)12-8-6-5-7-10(12)9(2)3;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one?
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 213.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 142558252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).