1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C25H30N2O2 — CID 39581896

IUPAC1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-20(28)26-18-14-25(15-19-26,23-10-6-3-7-11-23)24(29)27-16-12-22(13-17-27)21-8-4-2-5-9-21/h2-11,22H,12-19H2,1H3
InChIKeyICRCUBYBNABFMM-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.97
Rot. Bonds3

About 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 39581896) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID39581896
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-20(28)26-18-14-25(15-19-26,23-10-6-3-7-11-23)24(29)27-16-12-22(13-17-27)21-8-4-2-5-9-21/h2-11,22H,12-19H2,1H3
InChIKeyICRCUBYBNABFMM-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 97324717
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
1-acetyl-4-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 39897380
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
1-[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-phenylpiperidin-1-yl]ethanone
CID 39891735
1-(4-phenylpiperidin-1-yl)ethanone;4-piperidin-4-ylbenzoic acid
CID 158544804

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 39581896) is 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is ICRCUBYBNABFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-20(28)26-18-14-25(15-19-26,23-10-6-3-7-11-23)24(29)27-16-12-22(13-17-27)21-8-4-2-5-9-21/h2-11,22H,12-19H2,1H3.
What are the key properties of 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 390.53 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 39581896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).