5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

C22H31N3O2 — CID 56895270

IUPAC5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)Cc1ccc(C2CCCCN2Cc2ccc(C(=O)N(C)C)o2)cc1
InChIInChI=1S/C22H31N3O2/c1-23(2)15-17-8-10-18(11-9-17)20-7-5-6-14-25(20)16-19-12-13-21(27-19)22(26)24(3)4/h8-13,20H,5-7,14-16H2,1-4H3
InChIKeySOGWQIYAGXCNBK-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.77
Rot. Bonds6

About 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (PubChem CID 56895270) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
PubChem CID56895270
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)Cc1ccc(C2CCCCN2Cc2ccc(C(=O)N(C)C)o2)cc1
InChIInChI=1S/C22H31N3O2/c1-23(2)15-17-8-10-18(11-9-17)20-7-5-6-14-25(20)16-19-12-13-21(27-19)22(26)24(3)4/h8-13,20H,5-7,14-16H2,1-4H3
InChIKeySOGWQIYAGXCNBK-UHFFFAOYSA-N
XLogP3.77
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56899649
methyl 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56884158
1-[4-[[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 95724830
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
CID 95896839
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
N,N-dimethyl-1-[4-[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]phenyl]methanamine;formic acid
CID 154914569
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (CID 56895270) is 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is CN(C)Cc1ccc(C2CCCCN2Cc2ccc(C(=O)N(C)C)o2)cc1.
What is the InChIKey of 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The InChIKey is SOGWQIYAGXCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23(2)15-17-8-10-18(11-9-17)20-7-5-6-14-25(20)16-19-12-13-21(27-19)22(26)24(3)4/h8-13,20H,5-7,14-16H2,1-4H3.
What are the key properties of 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 56895270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).