N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide

C19H24N2O2 — CID 95724985

IUPACN-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESCN(Cc1ccoc1)C(=O)c1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C19H24N2O2/c1-21(13-17-8-10-23-14-17)19(22)18-6-4-15(5-7-18)11-16-3-2-9-20-12-16/h4-8,10,14,16,20H,2-3,9,11-13H2,1H3/t16-/m0/s1
InChIKeyWGNSZHYHEVFZRC-INIZCTEOSA-N
MW312.41 g/mol
LogP3.09
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide

N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide (PubChem CID 95724985) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide
PubChem CID95724985
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESCN(Cc1ccoc1)C(=O)c1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C19H24N2O2/c1-21(13-17-8-10-23-14-17)19(22)18-6-4-15(5-7-18)11-16-3-2-9-20-12-16/h4-8,10,14,16,20H,2-3,9,11-13H2,1H3/t16-/m0/s1
InChIKeyWGNSZHYHEVFZRC-INIZCTEOSA-N
XLogP3.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95723937
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
N-(furan-3-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 61151195
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95722792
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide (CID 95724985) is N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide is CN(Cc1ccoc1)C(=O)c1ccc(C[C@@H]2CCCNC2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The InChIKey is WGNSZHYHEVFZRC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(13-17-8-10-23-14-17)19(22)18-6-4-15(5-7-18)11-16-3-2-9-20-12-16/h4-8,10,14,16,20H,2-3,9,11-13H2,1H3/t16-/m0/s1.
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-4-[[(3S)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95724985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).