N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

C24H31N3O5 — CID 93198067

IUPACN-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H31N3O5/c1-4-26(5-2)24(30)21(25-22(28)18-8-6-9-19(16-18)31-3)17-11-13-27(14-12-17)23(29)20-10-7-15-32-20/h6-10,15-17,21H,4-5,11-14H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyGEKKFEHXRJZYTF-NRFANRHFSA-N
MW441.53 g/mol
LogP2.81
Rot. Bonds8

About N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 93198067) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
PubChem CID93198067
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H31N3O5/c1-4-26(5-2)24(30)21(25-22(28)18-8-6-9-19(16-18)31-3)17-11-13-27(14-12-17)23(29)20-10-7-15-32-20/h6-10,15-17,21H,4-5,11-14H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyGEKKFEHXRJZYTF-NRFANRHFSA-N
XLogP2.81
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198098
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019728
N-[2-(diethylamino)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 46020741
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]-4-methoxybenzamide
CID 93197391
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)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-3-methoxybenzamide
CID 93198046
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (CID 93198067) is N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is CCN(CC)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is GEKKFEHXRJZYTF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-4-26(5-2)24(30)21(25-22(28)18-8-6-9-19(16-18)31-3)17-11-13-27(14-12-17)23(29)20-10-7-15-32-20/h6-10,15-17,21H,4-5,11-14H2,1-3H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 441.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).