1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C15H26N6O2 — CID 155879253

IUPAC1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H26N6O2/c1-16-14(23)15(18-12-5-8-17-20(12)4)6-9-21(10-7-15)13(22)11-19(2)3/h5,8,18H,6-7,9-11H2,1-4H3,(H,16,23)
InChIKeyIYCUHRQTLCIBOJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.50
Rot. Bonds5

About 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155879253) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155879253
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C15H26N6O2/c1-16-14(23)15(18-12-5-8-17-20(12)4)6-9-21(10-7-15)13(22)11-19(2)3/h5,8,18H,6-7,9-11H2,1-4H3,(H,16,23)
InChIKeyIYCUHRQTLCIBOJ-UHFFFAOYSA-N
XLogP-0.50
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155879253) is 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is CNC(=O)C1(Nc2ccnn2C)CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is IYCUHRQTLCIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-16-14(23)15(18-12-5-8-17-20(12)4)6-9-21(10-7-15)13(22)11-19(2)3/h5,8,18H,6-7,9-11H2,1-4H3,(H,16,23).
What are the key properties of 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)acetyl]-N-methyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155879253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).