1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H28N2O2 — CID 62064232

IUPAC1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3
InChIKeyTTZHDAHPNQQRKE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.31
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 62064232) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID62064232
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3
InChIKeyTTZHDAHPNQQRKE-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

N-[(3S)-2-ethoxy-5-morpholin-4-ylpent-1-en-3-yl]-2,2-dimethylpropanamide
CID 122490408
N-[(2S,3R,4S)-4-amino-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179166
N-[(2S,3R,4S)-4-amino-2-(diethylaminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 141179173
cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone
CID 55030356
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 62064229
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
CID 62064231
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 62064233
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064401
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 62064559
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62065091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 62064232) is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is TTZHDAHPNQQRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)15(19)18-9-7-13(8-10-18)17-12-14-6-4-5-11-20-14/h5,11,13-14,17H,4,6-10,12H2,1-3H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 280.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 62064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).