N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide

C30H42N2O2 — CID 45173615

IUPACN-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(Cc3ccccc3)N(CC)C(=O)C3CCOCC3)CC2)cc1
InChIInChI=1S/C30H42N2O2/c1-3-24-10-12-26(13-11-24)23-31-18-14-27(15-19-31)29(22-25-8-6-5-7-9-25)32(4-2)30(33)28-16-20-34-21-17-28/h5-13,27-29H,3-4,14-23H2,1-2H3
InChIKeyCGBCFXBRPDMROB-UHFFFAOYSA-N
MW462.68 g/mol
LogP5.35
Rot. Bonds9

About N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide

N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide (PubChem CID 45173615) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
PubChem CID45173615
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC NameN-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(Cc3ccccc3)N(CC)C(=O)C3CCOCC3)CC2)cc1
InChIInChI=1S/C30H42N2O2/c1-3-24-10-12-26(13-11-24)23-31-18-14-27(15-19-31)29(22-25-8-6-5-7-9-25)32(4-2)30(33)28-16-20-34-21-17-28/h5-13,27-29H,3-4,14-23H2,1-2H3
InChIKeyCGBCFXBRPDMROB-UHFFFAOYSA-N
XLogP5.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
CID 118753986
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N,2,5-trimethyl-N-[1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyrazole-3-carboxamide
CID 45209709
N-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42323979
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-cyclopropyl-N-[1-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45212340
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 26274500
N-cyclopropyl-N-[(1S)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26278510
N-cyclopropyl-N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26278508
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The IUPAC name of N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide (CID 45173615) is N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide is CCc1ccc(CN2CCC(C(Cc3ccccc3)N(CC)C(=O)C3CCOCC3)CC2)cc1.
What is the InChIKey of N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The InChIKey is CGBCFXBRPDMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c1-3-24-10-12-26(13-11-24)23-31-18-14-27(15-19-31)29(22-25-8-6-5-7-9-25)32(4-2)30(33)28-16-20-34-21-17-28/h5-13,27-29H,3-4,14-23H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide has a molecular weight of 462.68 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 45173615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).