N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide

C22H36N2O2 — CID 23723225

IUPACN-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C22H36N2O2/c1-6-7-13-23(5)21(25)18-9-8-10-20(16-18)26-19-11-14-24(15-12-19)17-22(2,3)4/h8-10,16,19H,6-7,11-15,17H2,1-5H3
InChIKeyBPWFJPHGKRCTPK-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.45
Rot. Bonds7

About N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide

N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide (PubChem CID 23723225) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide
PubChem CID23723225
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C22H36N2O2/c1-6-7-13-23(5)21(25)18-9-8-10-20(16-18)26-19-11-14-24(15-12-19)17-22(2,3)4/h8-10,16,19H,6-7,11-15,17H2,1-5H3
InChIKeyBPWFJPHGKRCTPK-UHFFFAOYSA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Snc 80
CID 123924
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-yl)methanone
CID 2814667
Morpholino(3-phenoxyphenyl)methanone
CID 6465484
4-[(4-ethoxyphenoxy)methyl]-N,N-diethylbenzamide
CID 892217
3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide?
The IUPAC name of N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide (CID 23723225) is N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide?
The canonical SMILES for N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1.
What is the InChIKey of N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide?
The InChIKey is BPWFJPHGKRCTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-6-7-13-23(5)21(25)18-9-8-10-20(16-18)26-19-11-14-24(15-12-19)17-22(2,3)4/h8-10,16,19H,6-7,11-15,17H2,1-5H3.
What are the key properties of N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide?
N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide has a molecular weight of 360.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylbenzamide is sourced from PubChem (CID 23723225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).