1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione

C19H34N2O2 — CID 896367

IUPAC1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CCCC(=O)N2C[C@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C19H34N2O2/c1-14-8-15(2)11-20(10-14)18(22)6-5-7-19(23)21-12-16(3)9-17(4)13-21/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+/m1/s1
InChIKeyRURMZZUWYZHZAF-VQHPVUNQSA-N
MW322.49 g/mol
LogP3.17
Rot. Bonds4

About 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione

1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione (PubChem CID 896367) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
PubChem CID896367
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CCCC(=O)N2C[C@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C19H34N2O2/c1-14-8-15(2)11-20(10-14)18(22)6-5-7-19(23)21-12-16(3)9-17(4)13-21/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+/m1/s1
InChIKeyRURMZZUWYZHZAF-VQHPVUNQSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione with MolForge

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Related Compounds

1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1,1'-(Decane-1,10-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121330
1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
1,1'-(Hexane-1,6-diyl)bis(N,N-diethylpiperidine-3-carboxamide)--hydrogen bromide (1/2)
CID 121328
Ketone, 1-methyl-3-piperidyl piperidino
CID 218423
N,N'-(Ethane-1,2-diyl)bis(1-hexyl-N-methylpiperidine-3-carboxamide)--hydrogen iodide (1/2)
CID 13300504
5-[(4-Ethyl-1-piperazinyl)carbonyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone
CID 24817736
Nipecotamide, N,N'-ethylenebis(N-butyl-1-methyl-
CID 218425
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
[4-(1-Pentylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]-(1-pentylpiperidin-3-yl)methanone
CID 11754105
1-[8-[3-(diethylcarbamoyl)piperidin-1-yl]octyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 49859997
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione (CID 896367) is 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione is C[C@@H]1C[C@@H](C)CN(C(=O)CCCC(=O)N2C[C@H](C)C[C@H](C)C2)C1.
What is the InChIKey of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione?
The InChIKey is RURMZZUWYZHZAF-VQHPVUNQSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-14-8-15(2)11-20(10-14)18(22)6-5-7-19(23)21-12-16(3)9-17(4)13-21/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione?
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione has a molecular weight of 322.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 896367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).