N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide

C21H27N3O3 — CID 24982269

IUPACN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O3/c1-16-7-5-8-17(13-16)21(26)23-15-20(25)22-14-18(19-9-6-12-27-19)24-10-3-2-4-11-24/h5-9,12-13,18H,2-4,10-11,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCRAIUFKEOIOGAE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.66
Rot. Bonds7

About N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 24982269) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID24982269
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C21H27N3O3/c1-16-7-5-8-17(13-16)21(26)23-15-20(25)22-14-18(19-9-6-12-27-19)24-10-3-2-4-11-24/h5-9,12-13,18H,2-4,10-11,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyCRAIUFKEOIOGAE-UHFFFAOYSA-N
XLogP2.66
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46522286
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 51336068
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide (CID 24982269) is N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NCC(c2ccco2)N2CCCCC2)c1.
What is the InChIKey of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is CRAIUFKEOIOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-7-5-8-17(13-16)21(26)23-15-20(25)22-14-18(19-9-6-12-27-19)24-10-3-2-4-11-24/h5-9,12-13,18H,2-4,10-11,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 24982269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).