4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide

C20H28N4O3 — CID 55835858

IUPAC4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cn1
InChIInChI=1S/C20H28N4O3/c1-27-13-12-24-15-18(14-21-24)22-20(26)23-10-8-17(9-11-23)3-2-16-4-6-19(25)7-5-16/h4-7,14-15,17,25H,2-3,8-13H2,1H3,(H,22,26)
InChIKeyMXQYHIVJBCOLTE-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.11
Rot. Bonds7

About 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide

4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 55835858) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID55835858
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cn1
InChIInChI=1S/C20H28N4O3/c1-27-13-12-24-15-18(14-21-24)22-20(26)23-10-8-17(9-11-23)3-2-16-4-6-19(25)7-5-16/h4-7,14-15,17,25H,2-3,8-13H2,1H3,(H,22,26)
InChIKeyMXQYHIVJBCOLTE-UHFFFAOYSA-N
XLogP3.11
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 94156989
4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 55835858) is 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide is COCCn1cc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cn1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is MXQYHIVJBCOLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-27-13-12-24-15-18(14-21-24)22-20(26)23-10-8-17(9-11-23)3-2-16-4-6-19(25)7-5-16/h4-7,14-15,17,25H,2-3,8-13H2,1H3,(H,22,26).
What are the key properties of 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide?
4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 55835858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).