N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide

C16H28N4O2 — CID 71992095

IUPACN-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C16H28N4O2/c1-13(2)14-5-9-19(10-6-14)16(21)17-15-7-11-20(18-15)8-4-12-22-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3,(H,17,18,21)
InChIKeyHMCVQMFROZDHSL-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide

N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71992095) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID71992095
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)N2CCC(C(C)C)CC2)n1
InChIInChI=1S/C16H28N4O2/c1-13(2)14-5-9-19(10-6-14)16(21)17-15-7-11-20(18-15)8-4-12-22-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3,(H,17,18,21)
InChIKeyHMCVQMFROZDHSL-UHFFFAOYSA-N
XLogP2.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
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 N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide (CID 71992095) is N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide is COCCCn1ccc(NC(=O)N2CCC(C(C)C)CC2)n1.
What is the InChIKey of N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is HMCVQMFROZDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(2)14-5-9-19(10-6-14)16(21)17-15-7-11-20(18-15)8-4-12-22-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3,(H,17,18,21).
What are the key properties of N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71992095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).