2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C25H40N4O — CID 58826194

IUPAC2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCC(c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C25H40N4O/c1-21(2)27-16-18-29(19-17-27)25(30)20-26-12-10-24(11-13-26)28-14-8-23(9-15-28)22-6-4-3-5-7-22/h3-7,21,23-24H,8-20H2,1-2H3
InChIKeyDZOAHZDARPVYOW-UHFFFAOYSA-N
MW412.62 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 58826194) has the molecular formula C25H40N4O and a molecular weight of 412.62 g/mol. Its IUPAC name is 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID58826194
Molecular FormulaC25H40N4O
Molecular Weight412.62 g/mol
Exact Mass412.32
IUPAC Name2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(N3CCC(c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C25H40N4O/c1-21(2)27-16-18-29(19-17-27)25(30)20-26-12-10-24(11-13-26)28-14-8-23(9-15-28)22-6-4-3-5-7-22/h3-7,21,23-24H,8-20H2,1-2H3
InChIKeyDZOAHZDARPVYOW-UHFFFAOYSA-N
XLogP2.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-phenylpiperidin-1-yl)ethanone
CID 77083575
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 55543869
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 133267233
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 55475688
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 58826194) is 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(N3CCC(c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DZOAHZDARPVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O/c1-21(2)27-16-18-29(19-17-27)25(30)20-26-12-10-24(11-13-26)28-14-8-23(9-15-28)22-6-4-3-5-7-22/h3-7,21,23-24H,8-20H2,1-2H3.
What are the key properties of 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 412.62 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).