N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide

C27H36N2O2 — CID 118147802

IUPACN,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(CC4(C)CCC4)CC3)cc2)cc1
InChIInChI=1S/C27H36N2O2/c1-27(15-4-16-27)20-29-17-13-21(14-18-29)19-31-25-11-9-23(10-12-25)22-5-7-24(8-6-22)26(30)28(2)3/h5-12,21H,4,13-20H2,1-3H3
InChIKeyINAQFTHCHLLGHQ-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.34
Rot. Bonds7

About N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide

N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 118147802) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID118147802
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC NameN,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(CC4(C)CCC4)CC3)cc2)cc1
InChIInChI=1S/C27H36N2O2/c1-27(15-4-16-27)20-29-17-13-21(14-18-29)19-31-25-11-9-23(10-12-25)22-5-7-24(8-6-22)26(30)28(2)3/h5-12,21H,4,13-20H2,1-3H3
InChIKeyINAQFTHCHLLGHQ-UHFFFAOYSA-N
XLogP5.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
(2S,3S)-1-[3-fluoro-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzoyl]-3-hydroxypyrrolidine-2-carboxamide
CID 129119655
[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 134420631
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[2-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]pyrimidin-5-yl]phenyl]methanone
CID 118147976
[(3S)-3-methylpyrrolidin-1-yl]-[4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]methanone
CID 162613575
[3-fluoro-4-[2-fluoro-4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 118147962
(2S)-1-[3-fluoro-4-[2-fluoro-4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 118147968
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
1-[[4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 90018618
(2S,4R)-4-hydroxy-1-[4-[6-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]benzoyl]pyrrolidine-2-carboxamide
CID 118147814
[2-fluoro-4-[2-fluoro-4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 118147806
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72699414

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide (CID 118147802) is N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide is CN(C)C(=O)c1ccc(-c2ccc(OCC3CCN(CC4(C)CCC4)CC3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is INAQFTHCHLLGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-27(15-4-16-27)20-29-17-13-21(14-18-29)19-31-25-11-9-23(10-12-25)22-5-7-24(8-6-22)26(30)28(2)3/h5-12,21H,4,13-20H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide?
N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 420.60 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 118147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).