N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide

C21H28N2O2 — CID 47042036

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-10-16(2)13-23(12-15)14-19-6-4-18(5-7-19)11-22-21(24)20-17(3)8-9-25-20/h4-9,15-16H,10-14H2,1-3H3,(H,22,24)
InChIKeyUASVFCRVPNPOTN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.00
Rot. Bonds5

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 47042036) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide
PubChem CID47042036
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-10-16(2)13-23(12-15)14-19-6-4-18(5-7-19)11-22-21(24)20-17(3)8-9-25-20/h4-9,15-16H,10-14H2,1-3H3,(H,22,24)
InChIKeyUASVFCRVPNPOTN-UHFFFAOYSA-N
XLogP4.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515869
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179
N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-ethylsulfonylbenzamide
CID 52628153
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
4-chloro-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide
CID 60515982
3-methyl-N-[3-[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]propyl]furan-2-carboxamide;hydroiodide
CID 111776845

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide (CID 47042036) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCc1ccc(CN2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is UASVFCRVPNPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-10-16(2)13-23(12-15)14-19-6-4-18(5-7-19)11-22-21(24)20-17(3)8-9-25-20/h4-9,15-16H,10-14H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).