N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide

C24H34N4O3 — CID 86884569

IUPACN-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCCCCc3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C24H34N4O3/c1-3-28-18-21(17-25-28)26-24(30)20-13-15-27(16-14-20)23(29)8-6-4-5-7-19-9-11-22(31-2)12-10-19/h9-12,17-18,20H,3-8,13-16H2,1-2H3,(H,26,30)
InChIKeyNTSUNOZCHZETTA-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.89
Rot. Bonds10

About N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide (PubChem CID 86884569) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
PubChem CID86884569
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCCCCc3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C24H34N4O3/c1-3-28-18-21(17-25-28)26-24(30)20-13-15-27(16-14-20)23(29)8-6-4-5-7-19-9-11-22(31-2)12-10-19/h9-12,17-18,20H,3-8,13-16H2,1-2H3,(H,26,30)
InChIKeyNTSUNOZCHZETTA-UHFFFAOYSA-N
XLogP3.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
1-[4-(2,4-difluorophenoxy)butanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882164
1-[3-(3-bromophenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973504
6-(4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119544131
N-(1-ethylpyrazol-4-yl)-1-[4-(4-nitroanilino)butanoyl]piperidine-4-carboxamide
CID 86973524
(3R)-N-(1-ethylpyrazol-4-yl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95298742
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide (CID 86884569) is N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)CCCCCc3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide?
The InChIKey is NTSUNOZCHZETTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-3-28-18-21(17-25-28)26-24(30)20-13-15-27(16-14-20)23(29)8-6-4-5-7-19-9-11-22(31-2)12-10-19/h9-12,17-18,20H,3-8,13-16H2,1-2H3,(H,26,30).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[6-(4-methoxyphenyl)hexanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 86884569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).