N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide

C22H28N2O3 — CID 119288240

IUPACN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCNC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(24-22(25)19-9-6-12-23-14-19)18-10-11-20(21(13-18)26-2)27-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,19,23H,6,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeySHTKYVVOXLAFRI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.45
Rot. Bonds7

About N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide

N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 119288240) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID119288240
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CCCNC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(24-22(25)19-9-6-12-23-14-19)18-10-11-20(21(13-18)26-2)27-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,19,23H,6,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeySHTKYVVOXLAFRI-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
4-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119721259
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide (CID 119288240) is N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CCCNC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is SHTKYVVOXLAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(24-22(25)19-9-6-12-23-14-19)18-10-11-20(21(13-18)26-2)27-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,19,23H,6,9,12,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide?
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119288240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).