1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide

C17H29N5O2 — CID 72887361

IUPAC1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H29N5O2/c1-19(2)17(24)22-10-6-8-15(13-22)16(23)20(3)9-5-7-14-11-18-21(4)12-14/h11-12,15H,5-10,13H2,1-4H3
InChIKeyVSYQDFUVVVJWMG-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.20
Rot. Bonds5

About 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide

1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide (PubChem CID 72887361) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide
PubChem CID72887361
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H29N5O2/c1-19(2)17(24)22-10-6-8-15(13-22)16(23)20(3)9-5-7-14-11-18-21(4)12-14/h11-12,15H,5-10,13H2,1-4H3
InChIKeyVSYQDFUVVVJWMG-UHFFFAOYSA-N
XLogP1.20
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 53625013
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72932030
N,N,1-trimethyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118741028
3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 71899632
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide (CID 72887361) is 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is VSYQDFUVVVJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-19(2)17(24)22-10-6-8-15(13-22)16(23)20(3)9-5-7-14-11-18-21(4)12-14/h11-12,15H,5-10,13H2,1-4H3.
What are the key properties of 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide?
1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-trimethyl-3-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72887361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).