2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide

C13H21N5O2 — CID 86785517

IUPAC2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C13H21N5O2/c1-10-4-2-3-9-18(10)13(20)15-8-7-14-12(19)11-5-6-16-17-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,19)(H,15,20)(H,16,17)
InChIKeyRQJNWWVIEYABSJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide

2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide (PubChem CID 86785517) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
PubChem CID86785517
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C13H21N5O2/c1-10-4-2-3-9-18(10)13(20)15-8-7-14-12(19)11-5-6-16-17-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,19)(H,15,20)(H,16,17)
InChIKeyRQJNWWVIEYABSJ-UHFFFAOYSA-N
XLogP0.72
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide (CID 86785517) is 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide is CC1CCCCN1C(=O)NCCNC(=O)c1ccn[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is RQJNWWVIEYABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10-4-2-3-9-18(10)13(20)15-8-7-14-12(19)11-5-6-16-17-11/h5-6,10H,2-4,7-9H2,1H3,(H,14,19)(H,15,20)(H,16,17).
What are the key properties of 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide?
2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86785517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).