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

C18H20N2O3 — CID 38207852

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H20N2O3/c1-13-4-2-3-5-16(13)17(21)19-15-6-9-20(10-7-15)18(22)14-8-11-23-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyBPPNZWOSIMRXDS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds3

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

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 38207852) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID38207852
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H20N2O3/c1-13-4-2-3-5-16(13)17(21)19-15-6-9-20(10-7-15)18(22)14-8-11-23-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,19,21)
InChIKeyBPPNZWOSIMRXDS-UHFFFAOYSA-N
XLogP2.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46420852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
2-(3,4-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24660892
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide (CID 38207852) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is BPPNZWOSIMRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-2-3-5-16(13)17(21)19-15-6-9-20(10-7-15)18(22)14-8-11-23-12-14/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 38207852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).