N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

C20H27N5O3 — CID 86865510

IUPACN-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)Nc3cccc(OC)c3)CC2)cn1
InChIInChI=1S/C20H27N5O3/c1-3-25-13-17(12-21-25)23-20(27)15-7-9-24(10-8-15)14-19(26)22-16-5-4-6-18(11-16)28-2/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIGLWLTRSQHRRSA-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.20
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 86865510) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID86865510
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)Nc3cccc(OC)c3)CC2)cn1
InChIInChI=1S/C20H27N5O3/c1-3-25-13-17(12-21-25)23-20(27)15-7-9-24(10-8-15)14-19(26)22-16-5-4-6-18(11-16)28-2/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIGLWLTRSQHRRSA-UHFFFAOYSA-N
XLogP2.20
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865505
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134267
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
CID 86881963
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909624
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973504
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 86865510) is N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(CC(=O)Nc3cccc(OC)c3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is IGLWLTRSQHRRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-25-13-17(12-21-25)23-20(27)15-7-9-24(10-8-15)14-19(26)22-16-5-4-6-18(11-16)28-2/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 86865510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).