N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide

C16H23N5O3 — CID 50973454

IUPACN-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide
SMILESCn1ccn2ncc(C(=O)N3CCCC(C(=O)NCCCO)C3)c12
InChIInChI=1S/C16H23N5O3/c1-19-7-8-21-15(19)13(10-18-21)16(24)20-6-2-4-12(11-20)14(23)17-5-3-9-22/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,17,23)
InChIKeyVQAAJQXJNUEFCU-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.02
Rot. Bonds5

About N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide

N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide (PubChem CID 50973454) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide
PubChem CID50973454
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide
SMILESCn1ccn2ncc(C(=O)N3CCCC(C(=O)NCCCO)C3)c12
InChIInChI=1S/C16H23N5O3/c1-19-7-8-21-15(19)13(10-18-21)16(24)20-6-2-4-12(11-20)14(23)17-5-3-9-22/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,17,23)
InChIKeyVQAAJQXJNUEFCU-UHFFFAOYSA-N
XLogP0.02
TPSA91.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide (CID 50973454) is N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide is Cn1ccn2ncc(C(=O)N3CCCC(C(=O)NCCCO)C3)c12.
What is the InChIKey of N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide?
The InChIKey is VQAAJQXJNUEFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19-7-8-21-15(19)13(10-18-21)16(24)20-6-2-4-12(11-20)14(23)17-5-3-9-22/h7-8,10,12,22H,2-6,9,11H2,1H3,(H,17,23).
What are the key properties of N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide?
N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 50973454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).