N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide

C20H28N4O3 — CID 126813118

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(O)(Cc3ccccc3OC)CC2)cn1
InChIInChI=1S/C20H28N4O3/c1-3-24-15-16(14-22-24)13-21-19(25)23-10-8-20(26,9-11-23)12-17-6-4-5-7-18(17)27-2/h4-7,14-15,26H,3,8-13H2,1-2H3,(H,21,25)
InChIKeyRXSUXWUFKXIZIV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.19
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 126813118) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID126813118
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCC(O)(Cc3ccccc3OC)CC2)cn1
InChIInChI=1S/C20H28N4O3/c1-3-24-15-16(14-22-24)13-21-19(25)23-10-8-20(26,9-11-23)12-17-6-4-5-7-18(17)27-2/h4-7,14-15,26H,3,8-13H2,1-2H3,(H,21,25)
InChIKeyRXSUXWUFKXIZIV-UHFFFAOYSA-N
XLogP2.19
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 126813118) is N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide is CCn1cc(CNC(=O)N2CCC(O)(Cc3ccccc3OC)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is RXSUXWUFKXIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-24-15-16(14-22-24)13-21-19(25)23-10-8-20(26,9-11-23)12-17-6-4-5-7-18(17)27-2/h4-7,14-15,26H,3,8-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126813118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).