2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one

C19H31NO — CID 142755612

IUPAC2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1C)C2
InChIInChI=1S/C19H31NO/c1-13-17-9-15-8-16(10-17)12-19(13,11-15)14(2)18(21)20-6-4-3-5-7-20/h13-17H,3-12H2,1-2H3
InChIKeyWPFUXDBUQPAKQH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.10
Rot. Bonds2

About 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one

2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 142755612) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
PubChem CID142755612
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1C)C2
InChIInChI=1S/C19H31NO/c1-13-17-9-15-8-16(10-17)12-19(13,11-15)14(2)18(21)20-6-4-3-5-7-20/h13-17H,3-12H2,1-2H3
InChIKeyWPFUXDBUQPAKQH-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-(2-methyl-1-adamantyl)acetic acid
CID 87461971
2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112799397
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
CID 7149964
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
N-[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]adamantane-1-carboxamide
CID 46115453
N-[2-oxo-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]adamantane-1-carboxamide
CID 51122491
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one (CID 142755612) is 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1C)C2.
What is the InChIKey of 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is WPFUXDBUQPAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-17-9-15-8-16(10-17)12-19(13,11-15)14(2)18(21)20-6-4-3-5-7-20/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one?
2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 289.46 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 142755612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).