1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide

C23H31N5O4 — CID 92876417

IUPAC1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC[C@H]2COCCO2)CC1
InChIInChI=1S/C23H31N5O4/c1-16-21(25-17(2)29)23(28(26-16)19-6-4-3-5-7-19)27-10-8-18(9-11-27)22(30)24-14-20-15-31-12-13-32-20/h3-7,18,20H,8-15H2,1-2H3,(H,24,30)(H,25,29)/t20-/m0/s1
InChIKeyYHSQEIPGOXXOFR-FQEVSTJZSA-N
MW441.53 g/mol
LogP1.89
Rot. Bonds6

About 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92876417) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92876417
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC[C@H]2COCCO2)CC1
InChIInChI=1S/C23H31N5O4/c1-16-21(25-17(2)29)23(28(26-16)19-6-4-3-5-7-19)27-10-8-18(9-11-27)22(30)24-14-20-15-31-12-13-32-20/h3-7,18,20H,8-15H2,1-2H3,(H,24,30)(H,25,29)/t20-/m0/s1
InChIKeyYHSQEIPGOXXOFR-FQEVSTJZSA-N
XLogP1.89
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46358567
1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 7130571
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46358715
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46358029
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide (CID 92876417) is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide is CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NC[C@H]2COCCO2)CC1.
What is the InChIKey of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is YHSQEIPGOXXOFR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-16-21(25-17(2)29)23(28(26-16)19-6-4-3-5-7-19)27-10-8-18(9-11-27)22(30)24-14-20-15-31-12-13-32-20/h3-7,18,20H,8-15H2,1-2H3,(H,24,30)(H,25,29)/t20-/m0/s1.
What are the key properties of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide?
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92876417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).