N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide

C27H30N2O2 — CID 14851781

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c30-27(24-11-13-26(14-12-24)31-25-9-5-2-6-10-25)28-18-15-22-16-19-29(20-17-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2,(H,28,30)
InChIKeyXBOTWAVTBMPNSI-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.51
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide (PubChem CID 14851781) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
PubChem CID14851781
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c30-27(24-11-13-26(14-12-24)31-25-9-5-2-6-10-25)28-18-15-22-16-19-29(20-17-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2,(H,28,30)
InChIKeyXBOTWAVTBMPNSI-UHFFFAOYSA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474665
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
(E)-3-[4-[(1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 175172599
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
4-[2-(1-benzylpiperidin-4-yl)ethoxy]benzoic acid;but-2-enedioic acid
CID 67812960

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide (CID 14851781) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide?
The InChIKey is XBOTWAVTBMPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-27(24-11-13-26(14-12-24)31-25-9-5-2-6-10-25)28-18-15-22-16-19-29(20-17-22)21-23-7-3-1-4-8-23/h1-14,22H,15-21H2,(H,28,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide has a molecular weight of 414.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 14851781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).