(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C16H20N4O2 — CID 1452670

IUPAC(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyAAMRLXAKFKTVGS-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds4

About (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 1452670) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID1452670
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyAAMRLXAKFKTVGS-CYBMUJFWSA-N
XLogP1.91
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
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
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
1-(4-methylpyrimidin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 53102070
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
(3S)-N-[(3-bromophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95056440
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95082401
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
1-(4-methylpyrimidin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53102086
(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92869777
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 1452670) is (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCC[C@@H](C(=O)NCc3ccco3)C2)n1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is AAMRLXAKFKTVGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 1452670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).