N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H24N4O2 — CID 53102168

IUPACN-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC(C)Cc3ccco3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-13-5-8-19-18(21-13)22-9-6-15(7-10-22)17(23)20-14(2)12-16-4-3-11-24-16/h3-5,8,11,14-15H,6-7,9-10,12H2,1-2H3,(H,20,23)
InChIKeyUBBUVYYRFAIGAZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102168) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102168
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC(C)Cc3ccco3)CC2)n1
InChIInChI=1S/C18H24N4O2/c1-13-5-8-19-18(21-13)22-9-6-15(7-10-22)17(23)20-14(2)12-16-4-3-11-24-16/h3-5,8,11,14-15H,6-7,9-10,12H2,1-2H3,(H,20,23)
InChIKeyUBBUVYYRFAIGAZ-UHFFFAOYSA-N
XLogP2.34
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102168) is N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NC(C)Cc3ccco3)CC2)n1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is UBBUVYYRFAIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-8-19-18(21-13)22-9-6-15(7-10-22)17(23)20-14(2)12-16-4-3-11-24-16/h3-5,8,11,14-15H,6-7,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).