4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide

C20H28N4O3 — CID 155879928

IUPAC4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(NC2(C(=O)N(C)C)CCN(Cc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-12-17(22-27-15)14-24-10-8-20(9-11-24,19(25)23(2)3)21-16-6-5-7-18(13-16)26-4/h5-7,12-13,21H,8-11,14H2,1-4H3
InChIKeyBZTJEHSBQLQQCV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.53
Rot. Bonds6

About 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide

4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 155879928) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID155879928
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(NC2(C(=O)N(C)C)CCN(Cc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-15-12-17(22-27-15)14-24-10-8-20(9-11-24,19(25)23(2)3)21-16-6-5-7-18(13-16)26-4/h5-7,12-13,21H,8-11,14H2,1-4H3
InChIKeyBZTJEHSBQLQQCV-UHFFFAOYSA-N
XLogP2.53
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
CID 171695910
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
1-(2-ethoxyacetyl)-4-(3-methoxyanilino)-N,N-dimethylpiperidine-4-carboxamide
CID 155879122
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878831
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 78841963
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide (CID 155879928) is 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide is COc1cccc(NC2(C(=O)N(C)C)CCN(Cc3cc(C)on3)CC2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is BZTJEHSBQLQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-12-17(22-27-15)14-24-10-8-20(9-11-24,19(25)23(2)3)21-16-6-5-7-18(13-16)26-4/h5-7,12-13,21H,8-11,14H2,1-4H3.
What are the key properties of 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide?
4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155879928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).