1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione

C17H30N2O2 — CID 40599340

IUPAC1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
SMILESC[C@@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C17H30N2O2/c1-14-8-3-5-12-18(14)16(20)10-7-11-17(21)19-13-6-4-9-15(19)2/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyCPNWMNXAMYVOTF-HUUCEWRRSA-N
MW294.44 g/mol
LogP2.96
Rot. Bonds4

About 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione

1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione (PubChem CID 40599340) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
PubChem CID40599340
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
SMILESC[C@@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C17H30N2O2/c1-14-8-3-5-12-18(14)16(20)10-7-11-17(21)19-13-6-4-9-15(19)2/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyCPNWMNXAMYVOTF-HUUCEWRRSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511230
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione?
The IUPAC name of 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione (CID 40599340) is 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione is C[C@@H]1CCCCN1C(=O)CCCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione?
The InChIKey is CPNWMNXAMYVOTF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14-8-3-5-12-18(14)16(20)10-7-11-17(21)19-13-6-4-9-15(19)2/h14-15H,3-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione?
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 40599340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).