3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide

C18H24N4O2 — CID 166256214

IUPAC3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C(C)c3ncccn3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-12-11-13(2)24-16(12)18(23)21-15-5-9-22(10-6-15)14(3)17-19-7-4-8-20-17/h4,7-8,11,14-15H,5-6,9-10H2,1-3H3,(H,21,23)
InChIKeyPHOCQFYLCXTHES-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.64
Rot. Bonds4

About 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide

3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 166256214) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID166256214
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCN(C(C)c3ncccn3)CC2)o1
InChIInChI=1S/C18H24N4O2/c1-12-11-13(2)24-16(12)18(23)21-15-5-9-22(10-6-15)14(3)17-19-7-4-8-20-17/h4,7-8,11,14-15H,5-6,9-10H2,1-3H3,(H,21,23)
InChIKeyPHOCQFYLCXTHES-UHFFFAOYSA-N
XLogP2.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]furan-2-carboxamide
CID 146136526
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 138057318
N-[2-(cycloheptylamino)ethyl]-3,5-dimethylfuran-2-carboxamide
CID 119619721
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 133361200
N-(2-hydroxyphenyl)-1-(1-pyrimidin-2-ylethyl)piperidine-4-carboxamide
CID 126839220
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide (CID 166256214) is 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide is Cc1cc(C)c(C(=O)NC2CCN(C(C)c3ncccn3)CC2)o1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is PHOCQFYLCXTHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-11-13(2)24-16(12)18(23)21-15-5-9-22(10-6-15)14(3)17-19-7-4-8-20-17/h4,7-8,11,14-15H,5-6,9-10H2,1-3H3,(H,21,23).
What are the key properties of 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide?
3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-pyrimidin-2-ylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 166256214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).