N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide

C16H28N4O — CID 63135321

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCc2cn[nH]c2C)CCCNC1
InChIInChI=1S/C16H28N4O/c1-3-7-16(8-5-9-17-12-16)15(21)18-10-4-6-14-11-19-20-13(14)2/h11,17H,3-10,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHMGSGZINMXJNAO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.94
Rot. Bonds7

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63135321) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide
PubChem CID63135321
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCc2cn[nH]c2C)CCCNC1
InChIInChI=1S/C16H28N4O/c1-3-7-16(8-5-9-17-12-16)15(21)18-10-4-6-14-11-19-20-13(14)2/h11,17H,3-10,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyHMGSGZINMXJNAO-UHFFFAOYSA-N
XLogP1.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.94
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 N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide (CID 63135321) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCCCc2cn[nH]c2C)CCCNC1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is HMGSGZINMXJNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-7-16(8-5-9-17-12-16)15(21)18-10-4-6-14-11-19-20-13(14)2/h11,17H,3-10,12H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63135321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).