N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C21H24N4O4 — CID 55946095

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3c(C)oc4nc[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C21H24N4O4/c1-13-17(18-19(26)22-12-23-21(18)29-13)20(27)24-15-6-8-25(9-7-15)11-14-4-3-5-16(10-14)28-2/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyXEFCJXQHRFLNIV-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.23
Rot. Bonds5

About N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55946095) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID55946095
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3c(C)oc4nc[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C21H24N4O4/c1-13-17(18-19(26)22-12-23-21(18)29-13)20(27)24-15-6-8-25(9-7-15)11-14-4-3-5-16(10-14)28-2/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyXEFCJXQHRFLNIV-UHFFFAOYSA-N
XLogP2.23
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 55946095) is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is COc1cccc(CN2CCC(NC(=O)c3c(C)oc4nc[nH]c(=O)c34)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XEFCJXQHRFLNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-17(18-19(26)22-12-23-21(18)29-13)20(27)24-15-6-8-25(9-7-15)11-14-4-3-5-16(10-14)28-2/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,24,27)(H,22,23,26).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55946095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).