N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

C27H36N2O2 — CID 123252184

IUPACN-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCC(C)(C)CN1CCC(COc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc2)CC1
InChIInChI=1S/C27H36N2O2/c1-27(2,3)19-29-16-14-20(15-17-29)18-31-25-12-8-22(9-13-25)21-4-6-23(7-5-21)26(30)28-24-10-11-24/h4-9,12-13,20,24H,10-11,14-19H2,1-3H3,(H,28,30)
InChIKeyUCOLAJHYXPCOEQ-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.38
Rot. Bonds7

About N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 123252184) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID123252184
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC NameN-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCC(C)(C)CN1CCC(COc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc2)CC1
InChIInChI=1S/C27H36N2O2/c1-27(2,3)19-29-16-14-20(15-17-29)18-31-25-12-8-22(9-13-25)21-4-6-23(7-5-21)26(30)28-24-10-11-24/h4-9,12-13,20,24H,10-11,14-19H2,1-3H3,(H,28,30)
InChIKeyUCOLAJHYXPCOEQ-UHFFFAOYSA-N
XLogP5.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide with MolForge

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Related Compounds

4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-pentylbenzamide
CID 72700353
4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
CID 72700347
propan-2-yl 4-[[4-[4-(butylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate;propan-2-yl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 161310144
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856
N-cyclopropyl-4-[[1-(3-phenylprop-2-enoyl)piperidin-4-yl]methoxy]benzamide
CID 71841529
methyl 6-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylate
CID 90017587
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
(2R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 118147872
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123418930

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (CID 123252184) is N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is CC(C)(C)CN1CCC(COc2ccc(-c3ccc(C(=O)NC4CC4)cc3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is UCOLAJHYXPCOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-27(2,3)19-29-16-14-20(15-17-29)18-31-25-12-8-22(9-13-25)21-4-6-23(7-5-21)26(30)28-24-10-11-24/h4-9,12-13,20,24H,10-11,14-19H2,1-3H3,(H,28,30).
What are the key properties of N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 420.60 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 123252184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).