N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C24H31N3O4 — CID 46420852

IUPACN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H31N3O4/c1-16(2)14-21(26-22(28)20-7-5-4-6-17(20)3)23(29)25-19-8-11-27(12-9-19)24(30)18-10-13-31-15-18/h4-7,10,13,15-16,19,21H,8-9,11-12,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyKEGLKKCSDKQRLH-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.15
Rot. Bonds7

About N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 46420852) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID46420852
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C24H31N3O4/c1-16(2)14-21(26-22(28)20-7-5-4-6-17(20)3)23(29)25-19-8-11-27(12-9-19)24(30)18-10-13-31-15-18/h4-7,10,13,15-16,19,21H,8-9,11-12,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyKEGLKKCSDKQRLH-UHFFFAOYSA-N
XLogP3.15
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
cis-(1S,3R)-3-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676661
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
N-[(2R)-1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38208565
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 46420852) is N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is KEGLKKCSDKQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16(2)14-21(26-22(28)20-7-5-4-6-17(20)3)23(29)25-19-8-11-27(12-9-19)24(30)18-10-13-31-15-18/h4-7,10,13,15-16,19,21H,8-9,11-12,14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 425.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 46420852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).