N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C16H20N4O4 — CID 95218334

IUPACN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O4/c21-14(13-8-18-16(23)19-15(13)22)17-7-11-3-1-5-20(9-11)10-12-4-2-6-24-12/h2,4,6,8,11H,1,3,5,7,9-10H2,(H,17,21)(H2,18,19,22,23)/t11-/m1/s1
InChIKeyBPLLSYNOIINZAQ-LLVKDONJSA-N
MW332.36 g/mol
LogP0.30
Rot. Bonds5

About N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 95218334) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID95218334
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O4/c21-14(13-8-18-16(23)19-15(13)22)17-7-11-3-1-5-20(9-11)10-12-4-2-6-24-12/h2,4,6,8,11H,1,3,5,7,9-10H2,(H,17,21)(H2,18,19,22,23)/t11-/m1/s1
InChIKeyBPLLSYNOIINZAQ-LLVKDONJSA-N
XLogP0.30
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95202229
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 125175762
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
CID 74241621
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 95218334) is N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC[C@H]1CCCN(Cc2ccco2)C1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BPLLSYNOIINZAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-14(13-8-18-16(23)19-15(13)22)17-7-11-3-1-5-20(9-11)10-12-4-2-6-24-12/h2,4,6,8,11H,1,3,5,7,9-10H2,(H,17,21)(H2,18,19,22,23)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95218334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).