N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C20H26N4O4 — CID 47043589

IUPACN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-23-13-15(12-21-23)20(26)22-16-6-8-24(9-7-16)19(25)11-14-4-5-17(27-2)18(10-14)28-3/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,22,26)
InChIKeyNGCKJIYXHOVYQU-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.40
Rot. Bonds6

About N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 47043589) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID47043589
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-23-13-15(12-21-23)20(26)22-16-6-8-24(9-7-16)19(25)11-14-4-5-17(27-2)18(10-14)28-3/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,22,26)
InChIKeyNGCKJIYXHOVYQU-UHFFFAOYSA-N
XLogP1.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043568
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
N-[1-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043575
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749638
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749510
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 47043589) is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is COc1ccc(CC(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NGCKJIYXHOVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-23-13-15(12-21-23)20(26)22-16-6-8-24(9-7-16)19(25)11-14-4-5-17(27-2)18(10-14)28-3/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,22,26).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47043589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).