(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide

C18H26N4O3 — CID 99714491

IUPAC(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1
InChIInChI=1S/C18H26N4O3/c1-14-6-10-22(15(13-14)16-5-3-12-25-16)18(23)19-17-7-9-21(20-17)8-4-11-24-2/h3,5,7,9,12,14-15H,4,6,8,10-11,13H2,1-2H3,(H,19,20,23)/t14-,15+/m0/s1
InChIKeyUETONSTUPRGEJK-LSDHHAIUSA-N
MW346.43 g/mol
LogP3.52
Rot. Bonds6

About (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide

(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 99714491) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID99714491
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCOCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1
InChIInChI=1S/C18H26N4O3/c1-14-6-10-22(15(13-14)16-5-3-12-25-16)18(23)19-17-7-9-21(20-17)8-4-11-24-2/h3,5,7,9,12,14-15H,4,6,8,10-11,13H2,1-2H3,(H,19,20,23)/t14-,15+/m0/s1
InChIKeyUETONSTUPRGEJK-LSDHHAIUSA-N
XLogP3.52
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide (CID 99714491) is (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide is COCCCn1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1.
What is the InChIKey of (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UETONSTUPRGEJK-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14-6-10-22(15(13-14)16-5-3-12-25-16)18(23)19-17-7-9-21(20-17)8-4-11-24-2/h3,5,7,9,12,14-15H,4,6,8,10-11,13H2,1-2H3,(H,19,20,23)/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide?
(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 99714491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).