1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide

C26H34N2O2 — CID 11825671

IUPAC1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)C1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(24-14-17-28(18-15-24)20-25-8-4-5-19-30-25)27-16-13-21-9-11-23(12-10-21)22-6-2-1-3-7-22/h1-3,6-7,9-12,24-25H,4-5,8,13-20H2,(H,27,29)
InChIKeyPNUBCYKHUAPRPZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.29
Rot. Bonds7

About 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide

1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 11825671) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID11825671
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)C1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(24-14-17-28(18-15-24)20-25-8-4-5-19-30-25)27-16-13-21-9-11-23(12-10-21)22-6-2-1-3-7-22/h1-3,6-7,9-12,24-25H,4-5,8,13-20H2,(H,27,29)
InChIKeyPNUBCYKHUAPRPZ-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
1-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 84586067
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide (CID 11825671) is 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccc(-c2ccccc2)cc1)C1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is PNUBCYKHUAPRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26(24-14-17-28(18-15-24)20-25-8-4-5-19-30-25)27-16-13-21-9-11-23(12-10-21)22-6-2-1-3-7-22/h1-3,6-7,9-12,24-25H,4-5,8,13-20H2,(H,27,29).
What are the key properties of 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide?
1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 11825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).