[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C17H25N3O — CID 96588049

IUPAC[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-18-9-5-6-15(14-18)17(21)20-12-10-19(11-13-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3/t15-/m1/s1
InChIKeyWDSDBFRNHNVCRC-OAHLLOKOSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds2

About [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 96588049) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID96588049
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-18-9-5-6-15(14-18)17(21)20-12-10-19(11-13-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3/t15-/m1/s1
InChIKeyWDSDBFRNHNVCRC-OAHLLOKOSA-N
XLogP1.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
(3-aminocyclohexyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860777

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 96588049) is [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WDSDBFRNHNVCRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-9-5-6-15(14-18)17(21)20-12-10-19(11-13-20)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 96588049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).