1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one

C26H33N3O2 — CID 22241002

IUPAC1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-2-9-24(30)28-16-14-26(15-17-28,22-10-5-3-6-11-22)25(31)29-20-18-27(19-21-29)23-12-7-4-8-13-23/h3-8,10-13H,2,9,14-21H2,1H3
InChIKeyBDSIFQRMVKCLKO-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.70
Rot. Bonds5

About 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one

1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 22241002) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID22241002
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-2-9-24(30)28-16-14-26(15-17-28,22-10-5-3-6-11-22)25(31)29-20-18-27(19-21-29)23-12-7-4-8-13-23/h3-8,10-13H,2,9,14-21H2,1H3
InChIKeyBDSIFQRMVKCLKO-UHFFFAOYSA-N
XLogP3.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
4-phenyl-1-(4-phenylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 68506569
1-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one
CID 23600348
3-phenyl-1-[4-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 23600523
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
[1-(3-chlorophenyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 110436800
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 22241002) is 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is BDSIFQRMVKCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-9-24(30)28-16-14-26(15-17-28,22-10-5-3-6-11-22)25(31)29-20-18-27(19-21-29)23-12-7-4-8-13-23/h3-8,10-13H,2,9,14-21H2,1H3.
What are the key properties of 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one?
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 419.57 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 22241002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).