4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide

C22H28N2O3 — CID 120629843

IUPAC4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C22H28N2O3/c1-17(24-21(25)22(16-26-2)12-14-23-15-13-22)18-8-10-20(11-9-18)27-19-6-4-3-5-7-19/h3-11,17,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyDANZFRIKSANTTA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.67
Rot. Bonds7

About 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 120629843) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID120629843
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C22H28N2O3/c1-17(24-21(25)22(16-26-2)12-14-23-15-13-22)18-8-10-20(11-9-18)27-19-6-4-3-5-7-19/h3-11,17,23H,12-16H2,1-2H3,(H,24,25)
InChIKeyDANZFRIKSANTTA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
4-(methoxymethyl)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120635254
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide (CID 120629843) is 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2ccc(Oc3ccccc3)cc2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is DANZFRIKSANTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(24-21(25)22(16-26-2)12-14-23-15-13-22)18-8-10-20(11-9-18)27-19-6-4-3-5-7-19/h3-11,17,23H,12-16H2,1-2H3,(H,24,25).
What are the key properties of 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120629843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).