N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide

C16H25N5O2 — CID 120932432

IUPACN-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1
InChIInChI=1S/C16H25N5O2/c1-17-14(22)13-4-2-10-20(12-13)15(23)16(5-8-18-9-6-16)21-11-3-7-19-21/h3,7,11,13,18H,2,4-6,8-10,12H2,1H3,(H,17,22)
InChIKeyZZEYKTWTHDAXBT-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.05
Rot. Bonds3

About N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide

N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 120932432) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
PubChem CID120932432
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1
InChIInChI=1S/C16H25N5O2/c1-17-14(22)13-4-2-10-20(12-13)15(23)16(5-8-18-9-6-16)21-11-3-7-19-21/h3,7,11,13,18H,2,4-6,8-10,12H2,1H3,(H,17,22)
InChIKeyZZEYKTWTHDAXBT-UHFFFAOYSA-N
XLogP-0.05
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide (CID 120932432) is N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.
What is the InChIKey of N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZZEYKTWTHDAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-17-14(22)13-4-2-10-20(12-13)15(23)16(5-8-18-9-6-16)21-11-3-7-19-21/h3,7,11,13,18H,2,4-6,8-10,12H2,1H3,(H,17,22).
What are the key properties of N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide?
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 120932432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).