1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide

C27H36N2O2 — CID 25224577

IUPAC1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H36N2O2/c30-27(28-21-22-14-19-31-20-15-22)25-11-16-29(17-12-25)18-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-10,22,25-26H,11-21H2,(H,28,30)
InChIKeyGGEOUEKAPMZQJA-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.46
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide

1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 25224577) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
PubChem CID25224577
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H36N2O2/c30-27(28-21-22-14-19-31-20-15-22)25-11-16-29(17-12-25)18-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-10,22,25-26H,11-21H2,(H,28,30)
InChIKeyGGEOUEKAPMZQJA-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 25225132
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
CID 95813104
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide (CID 25224577) is 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCOCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GGEOUEKAPMZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c30-27(28-21-22-14-19-31-20-15-22)25-11-16-29(17-12-25)18-13-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-10,22,25-26H,11-21H2,(H,28,30).
What are the key properties of 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide?
1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25224577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).