(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate

C32H32N2O2 — CID 86183471

IUPAC(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O2/c35-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)36-29-21-23-34(24-22-29)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2,(H,33,35)
InChIKeyKDAYLCSEHSKOCA-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.76
Rot. Bonds7

About (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate

(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate (PubChem CID 86183471) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate.

Molecular Properties

Compound Name(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate
PubChem CID86183471
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate
SMILESO=C(NC(c1ccccc1)c1ccccc1)OC1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O2/c35-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)36-29-21-23-34(24-22-29)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2,(H,33,35)
InChIKeyKDAYLCSEHSKOCA-UHFFFAOYSA-N
XLogP6.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl] N-benzhydrylcarbamate
CID 139674543
(1-benzyl-1-methylpiperidin-1-ium-4-yl) N-benzhydrylcarbamate
CID 10768844
[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
CID 139674501
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
5-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]pentyl-[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium
CID 20625191
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(S)-(3-methylphenyl)-phenylmethyl]carbamate
CID 90213811
3-benzhydryl-1-[(1-benzhydrylpyrrolidin-3-yl)methyl]-1-methylurea
CID 58911298
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
CID 90844894
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
4-(1-benzhydrylpiperidin-4-yl)oxyaniline
CID 86008427
8-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]octyl-[6-[(2-methoxyphenyl)methoxy]hexyl]-dimethylazanium
CID 20625248
[(E)-4-[4-(benzhydrylcarbamoyloxy)piperidin-1-yl]but-2-enyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]-dimethylazanium
CID 20625173

Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate?
The IUPAC name of (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate (CID 86183471) is (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate.
What is the SMILES notation for (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate?
The canonical SMILES for (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate is O=C(NC(c1ccccc1)c1ccccc1)OC1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate?
The InChIKey is KDAYLCSEHSKOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c35-32(33-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26)36-29-21-23-34(24-22-29)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2,(H,33,35).
What are the key properties of (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate?
(1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate has a molecular weight of 476.62 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylpiperidin-4-yl) N-benzhydrylcarbamate is sourced from PubChem (CID 86183471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).