(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

C19H20N4O4S — CID 135910064

IUPAC(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H20N4O4S/c1-22(11-15-20-13-6-9-28-16(13)17(24)21-15)18(25)12-4-2-7-23(10-12)19(26)14-5-3-8-27-14/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyJDERMYZSALWBMP-GFCCVEGCSA-N
MW400.46 g/mol
LogP2.09
Rot. Bonds4

About (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide

(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 135910064) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID135910064
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H20N4O4S/c1-22(11-15-20-13-6-9-28-16(13)17(24)21-15)18(25)12-4-2-7-23(10-12)19(26)14-5-3-8-27-14/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyJDERMYZSALWBMP-GFCCVEGCSA-N
XLogP2.09
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 137287016
1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
(3S,4S)-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 136689820
(3R)-3-N-methyl-3-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 136701479
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31985390
N-[(2-chloro-5-nitrophenyl)methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 42938378
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 137294464
N-benzyl-2-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166218037
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135887606
(3R)-7-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136696893

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide (CID 135910064) is (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JDERMYZSALWBMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-22(11-15-20-13-6-9-28-16(13)17(24)21-15)18(25)12-4-2-7-23(10-12)19(26)14-5-3-8-27-14/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,20,21,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 135910064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).