N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide

C19H24N4O3 — CID 154736245

IUPACN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C
InChIInChI=1S/C19H24N4O3/c1-3-16-13(8-9-26-16)19(25)21-14-6-7-17(24)23(12-4-5-12)18(14)15-10-20-11-22(15)2/h8-12,14,18H,3-7H2,1-2H3,(H,21,25)/t14-,18-/m1/s1
InChIKeyDWCVHQNTZDHPFQ-RDTXWAMCSA-N
MW356.43 g/mol
LogP2.20
Rot. Bonds5

About N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide

N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide (PubChem CID 154736245) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
PubChem CID154736245
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C
InChIInChI=1S/C19H24N4O3/c1-3-16-13(8-9-26-16)19(25)21-14-6-7-17(24)23(12-4-5-12)18(14)15-10-20-11-22(15)2/h8-12,14,18H,3-7H2,1-2H3,(H,21,25)/t14-,18-/m1/s1
InChIKeyDWCVHQNTZDHPFQ-RDTXWAMCSA-N
XLogP2.20
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide?
The IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide (CID 154736245) is N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C.
What is the InChIKey of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide?
The InChIKey is DWCVHQNTZDHPFQ-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-16-13(8-9-26-16)19(25)21-14-6-7-17(24)23(12-4-5-12)18(14)15-10-20-11-22(15)2/h8-12,14,18H,3-7H2,1-2H3,(H,21,25)/t14-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide?
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 154736245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).