N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide

C19H24N4O5 — CID 131920487

IUPACN-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C19H24N4O5/c1-13-6-10-28-17(13)18(26)20-11-14-3-2-7-23(12-14)16(25)5-9-22-8-4-15(24)21-19(22)27/h4,6,8,10,14H,2-3,5,7,9,11-12H2,1H3,(H,20,26)(H,21,24,27)
InChIKeyISDQNVWVJADWBV-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.50
Rot. Bonds6

About N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide

N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 131920487) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
PubChem CID131920487
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C19H24N4O5/c1-13-6-10-28-17(13)18(26)20-11-14-3-2-7-23(12-14)16(25)5-9-22-8-4-15(24)21-19(22)27/h4,6,8,10,14H,2-3,5,7,9,11-12H2,1H3,(H,20,26)(H,21,24,27)
InChIKeyISDQNVWVJADWBV-UHFFFAOYSA-N
XLogP0.50
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-N-[[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131948015
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016
1-[3-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 95550951
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 100638229
1-[3-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 155494668
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 122258750
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
(6S,7S,8aS)-N-(cyclopropylmethyl)-2-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]-6-ethyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 154820487
1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
CID 122160256

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide (CID 131920487) is N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC1CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is ISDQNVWVJADWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-13-6-10-28-17(13)18(26)20-11-14-3-2-7-23(12-14)16(25)5-9-22-8-4-15(24)21-19(22)27/h4,6,8,10,14H,2-3,5,7,9,11-12H2,1H3,(H,20,26)(H,21,24,27).
What are the key properties of N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 131920487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).