N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

C26H38N6O2 — CID 55566069

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(CC(=O)N2CCCCC2C)CC1
InChIInChI=1S/C26H38N6O2/c1-20-9-7-8-13-31(20)25(34)19-30-17-15-29(16-18-30)14-12-24(33)27-26-21(2)28-32(22(26)3)23-10-5-4-6-11-23/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,33)
InChIKeyXIUPTDXFQSQJPN-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.84
Rot. Bonds7

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 55566069) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID55566069
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(CC(=O)N2CCCCC2C)CC1
InChIInChI=1S/C26H38N6O2/c1-20-9-7-8-13-31(20)25(34)19-30-17-15-29(16-18-30)14-12-24(33)27-26-21(2)28-32(22(26)3)23-10-5-4-6-11-23/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,33)
InChIKeyXIUPTDXFQSQJPN-UHFFFAOYSA-N
XLogP2.84
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 75463129
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55849819
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55565686
ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 55326454
3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86984169
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55628035
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (CID 55566069) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(CC(=O)N2CCCCC2C)CC1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is XIUPTDXFQSQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-20-9-7-8-13-31(20)25(34)19-30-17-15-29(16-18-30)14-12-24(33)27-26-21(2)28-32(22(26)3)23-10-5-4-6-11-23/h4-6,10-11,20H,7-9,12-19H2,1-3H3,(H,27,33).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 466.63 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55566069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).