1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone

C15H30N2O2 — CID 99855126

IUPAC1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone
SMILESCC(C)[C@@H](CCO)NCC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)14(5-6-18)16-8-15(19)17-9-12(3)7-13(4)10-17/h11-14,16,18H,5-10H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyIXQGBRHOVLBGMG-HZSPNIEDSA-N
MW270.42 g/mol
LogP1.49
Rot. Bonds6

About 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone

1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone (PubChem CID 99855126) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone
PubChem CID99855126
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone
SMILESCC(C)[C@@H](CCO)NCC(=O)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)14(5-6-18)16-8-15(19)17-9-12(3)7-13(4)10-17/h11-14,16,18H,5-10H2,1-4H3/t12-,13+,14-/m1/s1
InChIKeyIXQGBRHOVLBGMG-HZSPNIEDSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone with MolForge

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Related Compounds

(2R)-2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]pentanoic acid
CID 93252644
(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961583
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butane-1,3-dione
CID 26026135
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
CID 112796946
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
CID 106349473
N-cyclohexyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104892038
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-1-carboxamide
CID 103713703
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone?
The IUPAC name of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone (CID 99855126) is 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone.
What is the SMILES notation for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone?
The canonical SMILES for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone is CC(C)[C@@H](CCO)NCC(=O)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone?
The InChIKey is IXQGBRHOVLBGMG-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)14(5-6-18)16-8-15(19)17-9-12(3)7-13(4)10-17/h11-14,16,18H,5-10H2,1-4H3/t12-,13+,14-/m1/s1.
What are the key properties of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone?
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone has a molecular weight of 270.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(3R)-1-hydroxy-4-methylpentan-3-yl]amino]ethanone is sourced from PubChem (CID 99855126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).