1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide

C13H21N5O2 — CID 91834090

IUPAC1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c14-12(19)10-2-6-18(7-3-10)5-1-4-15-13(20)11-8-16-17-9-11/h8-10H,1-7H2,(H2,14,19)(H,15,20)(H,16,17)
InChIKeyDOQANVQHTLYYER-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.27
Rot. Bonds6

About 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide

1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide (PubChem CID 91834090) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide
PubChem CID91834090
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCNC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c14-12(19)10-2-6-18(7-3-10)5-1-4-15-13(20)11-8-16-17-9-11/h8-10H,1-7H2,(H2,14,19)(H,15,20)(H,16,17)
InChIKeyDOQANVQHTLYYER-UHFFFAOYSA-N
XLogP-0.27
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide (CID 91834090) is 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCNC(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide?
The InChIKey is DOQANVQHTLYYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-12(19)10-2-6-18(7-3-10)5-1-4-15-13(20)11-8-16-17-9-11/h8-10H,1-7H2,(H2,14,19)(H,15,20)(H,16,17).
What are the key properties of 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide?
1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazole-4-carbonylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 91834090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).