N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide

C19H33N5O2 — CID 86984110

IUPACN-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H33N5O2/c1-6-7-10-20-19(26)16-8-11-24(12-9-16)15(4)18(25)21-17-13(2)22-23(5)14(17)3/h15-16H,6-12H2,1-5H3,(H,20,26)(H,21,25)
InChIKeyQHOYDEQWJBXNDD-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.99
Rot. Bonds7

About N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide

N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 86984110) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
PubChem CID86984110
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(C)C(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H33N5O2/c1-6-7-10-20-19(26)16-8-11-24(12-9-16)15(4)18(25)21-17-13(2)22-23(5)14(17)3/h15-16H,6-12H2,1-5H3,(H,20,26)(H,21,25)
InChIKeyQHOYDEQWJBXNDD-UHFFFAOYSA-N
XLogP1.99
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide (CID 86984110) is N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(C)C(=O)Nc2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide?
The InChIKey is QHOYDEQWJBXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-6-7-10-20-19(26)16-8-11-24(12-9-16)15(4)18(25)21-17-13(2)22-23(5)14(17)3/h15-16H,6-12H2,1-5H3,(H,20,26)(H,21,25).
What are the key properties of N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide?
N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86984110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).