N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C16H28N6O2 — CID 75473902

IUPACN-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(c2[nH]ncc2NC(=O)NCC)C1
InChIInChI=1S/C16H28N6O2/c1-3-5-8-18-16(24)22-9-6-7-12(11-22)14-13(10-19-21-14)20-15(23)17-4-2/h10,12H,3-9,11H2,1-2H3,(H,18,24)(H,19,21)(H2,17,20,23)
InChIKeyUETWIBKCOBQOGQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.24
Rot. Bonds6

About N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 75473902) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID75473902
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC NameN-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(c2[nH]ncc2NC(=O)NCC)C1
InChIInChI=1S/C16H28N6O2/c1-3-5-8-18-16(24)22-9-6-7-12(11-22)14-13(10-19-21-14)20-15(23)17-4-2/h10,12H,3-9,11H2,1-2H3,(H,18,24)(H,19,21)(H2,17,20,23)
InChIKeyUETWIBKCOBQOGQ-UHFFFAOYSA-N
XLogP2.24
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.24
H-Bond Donors ≤ 54
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-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 75473902) is N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide is CCCCNC(=O)N1CCCC(c2[nH]ncc2NC(=O)NCC)C1.
What is the InChIKey of N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is UETWIBKCOBQOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-3-5-8-18-16(24)22-9-6-7-12(11-22)14-13(10-19-21-14)20-15(23)17-4-2/h10,12H,3-9,11H2,1-2H3,(H,18,24)(H,19,21)(H2,17,20,23).
What are the key properties of N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[4-(ethylcarbamoylamino)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).