(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C15H31N3O+2 — CID 7436859

IUPAC(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESCC[NH+]1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-4-16-8-10-17(11-9-16)14(3)15(19)18-7-5-6-13(2)12-18/h13-14H,4-12H2,1-3H3/p+2/t13-,14-/m1/s1
InChIKeyIOZKOQRPGKNAOG-ZIAGYGMSSA-P
MW269.43 g/mol
LogP-1.56
Rot. Bonds3

About (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 7436859) has the molecular formula C15H31N3O+2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID7436859
Molecular FormulaC15H31N3O+2
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESCC[NH+]1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H29N3O/c1-4-16-8-10-17(11-9-16)14(3)15(19)18-7-5-6-13(2)12-18/h13-14H,4-12H2,1-3H3/p+2/t13-,14-/m1/s1
InChIKeyIOZKOQRPGKNAOG-ZIAGYGMSSA-P
XLogP-1.56
TPSA29.19 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide
CID 10286267
3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 59011431
1-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 8530584
(2S)-2-(3-methylbutoxy)-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 99592393
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 7436859) is (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is CC[NH+]1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C)C2)CC1.
What is the InChIKey of (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is IOZKOQRPGKNAOG-ZIAGYGMSSA-P. The full InChI is InChI=1S/C15H29N3O/c1-4-16-8-10-17(11-9-16)14(3)15(19)18-7-5-6-13(2)12-18/h13-14H,4-12H2,1-3H3/p+2/t13-,14-/m1/s1.
What are the key properties of (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
(2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 269.43 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 7436859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).