(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide

C18H24N4O2 — CID 96557410

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccco3)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-11-14(2)21-18(20-13)22-9-3-5-15(12-22)17(23)19-8-7-16-6-4-10-24-16/h4,6,10-11,15H,3,5,7-9,12H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyDHBYFFLQBZIESF-HNNXBMFYSA-N
MW328.42 g/mol
LogP2.26
Rot. Bonds5

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 96557410) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID96557410
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccco3)C2)n1
InChIInChI=1S/C18H24N4O2/c1-13-11-14(2)21-18(20-13)22-9-3-5-15(12-22)17(23)19-8-7-16-6-4-10-24-16/h4,6,10-11,15H,3,5,7-9,12H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyDHBYFFLQBZIESF-HNNXBMFYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3S)-N-[2-(furan-2-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92887871
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(furan-2-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950711
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 96557631

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide (CID 96557410) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccco3)C2)n1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is DHBYFFLQBZIESF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-14(2)21-18(20-13)22-9-3-5-15(12-22)17(23)19-8-7-16-6-4-10-24-16/h4,6,10-11,15H,3,5,7-9,12H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 96557410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).