N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

C22H23N3O3 — CID 3220890

IUPACN-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H23N3O3/c26-21(24-19-8-3-6-16-5-1-2-7-18(16)19)15-25-12-10-17(11-13-25)23-22(27)20-9-4-14-28-20/h1-9,14,17H,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyXCFJIPOGVWCNSN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.27
Rot. Bonds5

About N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 3220890) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID3220890
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H23N3O3/c26-21(24-19-8-3-6-16-5-1-2-7-18(16)19)15-25-12-10-17(11-13-25)23-22(27)20-9-4-14-28-20/h1-9,14,17H,10-13,15H2,(H,23,27)(H,24,26)
InChIKeyXCFJIPOGVWCNSN-UHFFFAOYSA-N
XLogP3.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (CID 3220890) is N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is XCFJIPOGVWCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(24-19-8-3-6-16-5-1-2-7-18(16)19)15-25-12-10-17(11-13-25)23-22(27)20-9-4-14-28-20/h1-9,14,17H,10-13,15H2,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 3220890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).