N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide

C21H26N2O3 — CID 1030756

IUPACN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESCC1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H26N2O3/c1-17-7-11-22(12-8-17)20(24)9-13-23(15-18-5-3-2-4-6-18)21(25)19-10-14-26-16-19/h2-6,10,14,16-17H,7-9,11-13,15H2,1H3
InChIKeyYFLWIUJAPCXRSJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds6

About N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide (PubChem CID 1030756) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
PubChem CID1030756
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
SMILESCC1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H26N2O3/c1-17-7-11-22(12-8-17)20(24)9-13-23(15-18-5-3-2-4-6-18)21(25)19-10-14-26-16-19/h2-6,10,14,16-17H,7-9,11-13,15H2,1H3
InChIKeyYFLWIUJAPCXRSJ-UHFFFAOYSA-N
XLogP3.57
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-3-carboxamide
CID 815108
N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-benzyl-N-[3-(butan-2-ylamino)-3-oxopropyl]furan-3-carboxamide
CID 42780168
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119565
N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylfuran-3-carboxamide
CID 7482407
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethyl-N-(furan-2-ylmethyl)benzamide
CID 42703534
3-tert-butyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699912
N-(furan-2-ylmethyl)-N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]furan-3-carboxamide
CID 1030422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide (CID 1030756) is N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide is CC1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2)CC1.
What is the InChIKey of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is YFLWIUJAPCXRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-7-11-22(12-8-17)20(24)9-13-23(15-18-5-3-2-4-6-18)21(25)19-10-14-26-16-19/h2-6,10,14,16-17H,7-9,11-13,15H2,1H3.
What are the key properties of N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide?
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 1030756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).