N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide

C23H23N3O5 — CID 131907567

IUPACN-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)NC1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C23H23N3O5/c1-15-17(10-13-30-15)21(27)25-19-8-3-2-7-18(19)22(28)24-16-6-4-11-26(14-16)23(29)20-9-5-12-31-20/h2-3,5,7-10,12-13,16H,4,6,11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyOQCHSVATWHYVCD-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide

N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 131907567) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID131907567
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(=O)NC1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C23H23N3O5/c1-15-17(10-13-30-15)21(27)25-19-8-3-2-7-18(19)22(28)24-16-6-4-11-26(14-16)23(29)20-9-5-12-31-20/h2-3,5,7-10,12-13,16H,4,6,11,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyOQCHSVATWHYVCD-UHFFFAOYSA-N
XLogP3.47
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N'-(2,3-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanediamide
CID 131897899
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131942294
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95221445
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 46104197
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide (CID 131907567) is N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccccc1C(=O)NC1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is OQCHSVATWHYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15-17(10-13-30-15)21(27)25-19-8-3-2-7-18(19)22(28)24-16-6-4-11-26(14-16)23(29)20-9-5-12-31-20/h2-3,5,7-10,12-13,16H,4,6,11,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide?
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 131907567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).