1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide

C22H26N4O2 — CID 46289932

IUPAC1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1oc2ncnc(N3CCC(C(=O)NC(C)c4ccccc4)CC3)c2c1C
InChIInChI=1S/C22H26N4O2/c1-14-16(3)28-22-19(14)20(23-13-24-22)26-11-9-18(10-12-26)21(27)25-15(2)17-7-5-4-6-8-17/h4-8,13,15,18H,9-12H2,1-3H3,(H,25,27)
InChIKeyDNQHLYBIVKWFBA-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.93
Rot. Bonds4

About 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 46289932) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID46289932
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCc1oc2ncnc(N3CCC(C(=O)NC(C)c4ccccc4)CC3)c2c1C
InChIInChI=1S/C22H26N4O2/c1-14-16(3)28-22-19(14)20(23-13-24-22)26-11-9-18(10-12-26)21(27)25-15(2)17-7-5-4-6-8-17/h4-8,13,15,18H,9-12H2,1-3H3,(H,25,27)
InChIKeyDNQHLYBIVKWFBA-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46289930
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46289986
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46289938
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289955
N-(2,4-dimethoxyphenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289909
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
1-(2-morpholin-4-ylpyrimidin-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53146248
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 20920230
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 46289932) is 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is Cc1oc2ncnc(N3CCC(C(=O)NC(C)c4ccccc4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is DNQHLYBIVKWFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-16(3)28-22-19(14)20(23-13-24-22)26-11-9-18(10-12-26)21(27)25-15(2)17-7-5-4-6-8-17/h4-8,13,15,18H,9-12H2,1-3H3,(H,25,27).
What are the key properties of 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46289932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).