(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one

C16H33N3O — CID 7437328

IUPAC(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESCCN(CC)CCN[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H33N3O/c1-6-18(7-2)12-11-17-15(5)16(20)19-13(3)9-8-10-14(19)4/h13-15,17H,6-12H2,1-5H3/t13-,14+,15-/m1/s1
InChIKeyCXSVMOSHBAQULZ-QLFBSQMISA-N
MW283.46 g/mol
LogP2.10
Rot. Bonds7

About (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one

(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one (PubChem CID 7437328) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
PubChem CID7437328
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESCCN(CC)CCN[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H33N3O/c1-6-18(7-2)12-11-17-15(5)16(20)19-13(3)9-8-10-14(19)4/h13-15,17H,6-12H2,1-5H3/t13-,14+,15-/m1/s1
InChIKeyCXSVMOSHBAQULZ-QLFBSQMISA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[3-(dimethylamino)propylamino]-1-(2,6-dimethylpiperidin-1-yl)propan-1-one;oxalic acid
CID 175652973
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
2-bromo-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butan-1-one
CID 104967100
(2S)-2-[3-(dimethylamino)propylamino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 7437376
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 63318437

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one (CID 7437328) is (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one is CCN(CC)CCN[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The InChIKey is CXSVMOSHBAQULZ-QLFBSQMISA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-18(7-2)12-11-17-15(5)16(20)19-13(3)9-8-10-14(19)4/h13-15,17H,6-12H2,1-5H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
(2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one has a molecular weight of 283.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(diethylamino)ethylamino]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 7437328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).