2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one

C20H34N2O — CID 112799397

IUPAC2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O/c1-15(19(23)22-6-4-3-5-7-22)21(2)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h15-18H,3-14H2,1-2H3
InChIKeyXKFPMXDZLGKWFY-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one

2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 112799397) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID112799397
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N2O/c1-15(19(23)22-6-4-3-5-7-22)21(2)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h15-18H,3-14H2,1-2H3
InChIKeyXKFPMXDZLGKWFY-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
2-[methyl(piperidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106635350
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
CID 142755612
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
(2S)-2-[1-adamantylmethyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925881
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-[(3-amino-4-methylpentyl)-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 81491160
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
CID 7149964

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one (CID 112799397) is 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N(C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is XKFPMXDZLGKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-15(19(23)22-6-4-3-5-7-22)21(2)14-20-11-16-8-17(12-20)10-18(9-16)13-20/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 318.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylmethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112799397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).