1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

C21H29N5O2 — CID 119065208

IUPAC1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESCc1c(CNC(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cnn1C
InChIInChI=1S/C21H29N5O2/c1-16-19(15-24-25(16)2)14-23-21(28)26-12-9-18(10-13-26)20(27)22-11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyNTBOXEUFVFHALN-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.01
Rot. Bonds6

About 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (PubChem CID 119065208) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
PubChem CID119065208
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESCc1c(CNC(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cnn1C
InChIInChI=1S/C21H29N5O2/c1-16-19(15-24-25(16)2)14-23-21(28)26-12-9-18(10-13-26)20(27)22-11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyNTBOXEUFVFHALN-UHFFFAOYSA-N
XLogP2.01
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 119063153
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 119067199
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (CID 119065208) is 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is Cc1c(CNC(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cnn1C.
What is the InChIKey of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The InChIKey is NTBOXEUFVFHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-19(15-24-25(16)2)14-23-21(28)26-12-9-18(10-13-26)20(27)22-11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 119065208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).