1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide

C19H26N4O4 — CID 97197961

IUPAC1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1noc([C@H]2CCCO2)n1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H26N4O4/c24-18(14-6-9-23(10-7-14)13-15-3-1-11-25-15)20-8-5-17-21-19(27-22-17)16-4-2-12-26-16/h1,3,11,14,16H,2,4-10,12-13H2,(H,20,24)/t16-/m1/s1
InChIKeyNHMDNNYWKUVSMY-MRXNPFEDSA-N
MW374.44 g/mol
LogP2.09
Rot. Bonds7

About 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide (PubChem CID 97197961) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide
PubChem CID97197961
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1noc([C@H]2CCCO2)n1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H26N4O4/c24-18(14-6-9-23(10-7-14)13-15-3-1-11-25-15)20-8-5-17-21-19(27-22-17)16-4-2-12-26-16/h1,3,11,14,16H,2,4-10,12-13H2,(H,20,24)/t16-/m1/s1
InChIKeyNHMDNNYWKUVSMY-MRXNPFEDSA-N
XLogP2.09
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide (CID 97197961) is 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide is O=C(NCCc1noc([C@H]2CCCO2)n1)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is NHMDNNYWKUVSMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-18(14-6-9-23(10-7-14)13-15-3-1-11-25-15)20-8-5-17-21-19(27-22-17)16-4-2-12-26-16/h1,3,11,14,16H,2,4-10,12-13H2,(H,20,24)/t16-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97197961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).