1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

C23H27N3O3 — CID 41464719

IUPAC1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-6-5-7-19(16-17)28-15-14-25(2)22(27)18-10-12-26(13-11-18)23-24-20-8-3-4-9-21(20)29-23/h3-9,16,18H,10-15H2,1-2H3
InChIKeyQJPWNUFTDPQBCK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.89
Rot. Bonds6

About 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 41464719) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID41464719
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-17-6-5-7-19(16-17)28-15-14-25(2)22(27)18-10-12-26(13-11-18)23-24-20-8-3-4-9-21(20)29-23/h3-9,16,18H,10-15H2,1-2H3
InChIKeyQJPWNUFTDPQBCK-UHFFFAOYSA-N
XLogP3.89
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 26980460
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 97115774
1-(2-cyanophenyl)sulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 24506314
3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-ethylamino]propanoic acid
CID 119190939
N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119584379
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 78846668
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 71905916
(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16590590

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide (CID 41464719) is 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide is Cc1cccc(OCCN(C)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is QJPWNUFTDPQBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-6-5-7-19(16-17)28-15-14-25(2)22(27)18-10-12-26(13-11-18)23-24-20-8-3-4-9-21(20)29-23/h3-9,16,18H,10-15H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41464719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).