ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C19H31N3O — CID 171069680

IUPACethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC.CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O.C2H6/c1-18-9-7-15(8-10-18)17(21)20-13-11-19(12-14-20)16-5-3-2-4-6-16;1-2/h2-6,15H,7-14H2,1H3;1-2H3
InChIKeyKHHIUVZFSXRFSL-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.70
Rot. Bonds2

About ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 171069680) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID171069680
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Nameethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC.CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O.C2H6/c1-18-9-7-15(8-10-18)17(21)20-13-11-19(12-14-20)16-5-3-2-4-6-16;1-2/h2-6,15H,7-14H2,1H3;1-2H3
InChIKeyKHHIUVZFSXRFSL-UHFFFAOYSA-N
XLogP2.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 171069680) is ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is CC.CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KHHIUVZFSXRFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C2H6/c1-18-9-7-15(8-10-18)17(21)20-13-11-19(12-14-20)16-5-3-2-4-6-16;1-2/h2-6,15H,7-14H2,1H3;1-2H3.
What are the key properties of ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 317.48 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 171069680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).