N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide

C23H29N3O5 — CID 46019494

IUPACN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC(C)C)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H29N3O5/c1-15(2)24-22(28)20(25-21(27)17-6-8-18(30-3)9-7-17)16-10-12-26(13-11-16)23(29)19-5-4-14-31-19/h4-9,14-16,20H,10-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyAFTSTSOEYCJVRN-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.46
Rot. Bonds7

About N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide

N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide (PubChem CID 46019494) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
PubChem CID46019494
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NC(C)C)C2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C23H29N3O5/c1-15(2)24-22(28)20(25-21(27)17-6-8-18(30-3)9-7-17)16-10-12-26(13-11-16)23(29)19-5-4-14-31-19/h4-9,14-16,20H,10-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyAFTSTSOEYCJVRN-UHFFFAOYSA-N
XLogP2.46
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 93197506
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199025
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199023
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198067
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198583
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46151791
N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
CID 93200267
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197604

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide (CID 46019494) is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C(=O)NC(C)C)C2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide?
The InChIKey is AFTSTSOEYCJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-15(2)24-22(28)20(25-21(27)17-6-8-18(30-3)9-7-17)16-10-12-26(13-11-16)23(29)19-5-4-14-31-19/h4-9,14-16,20H,10-13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide?
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 46019494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).