1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

C29H31NO3 — CID 47078732

IUPAC1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESO=C(OC(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H31NO3/c31-28(17-16-23-10-4-1-5-11-23)30-20-18-26(19-21-30)29(32)33-27(25-14-8-3-9-15-25)22-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2
InChIKeyJCPKADNJWUXCOU-UHFFFAOYSA-N
MW441.57 g/mol
LogP5.39
Rot. Bonds8

About 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (PubChem CID 47078732) has the molecular formula C29H31NO3 and a molecular weight of 441.57 g/mol. Its IUPAC name is 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
PubChem CID47078732
Molecular FormulaC29H31NO3
Molecular Weight441.57 g/mol
Exact Mass441.23
IUPAC Name1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESO=C(OC(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C29H31NO3/c31-28(17-16-23-10-4-1-5-11-23)30-20-18-26(19-21-30)29(32)33-27(25-14-8-3-9-15-25)22-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2
InChIKeyJCPKADNJWUXCOU-UHFFFAOYSA-N
XLogP5.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenylethyl 1-methylpiperidine-4-carboxylate
CID 70925787
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
CID 71869357
(4-bromo-2-chlorophenyl) 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 55631445
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (CID 47078732) is 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is O=C(OC(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JCPKADNJWUXCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3/c31-28(17-16-23-10-4-1-5-11-23)30-20-18-26(19-21-30)29(32)33-27(25-14-8-3-9-15-25)22-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2.
What are the key properties of 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate has a molecular weight of 441.57 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 47078732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).