N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine

C23H29N3O — CID 42531493

IUPACN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C23H29N3O/c1-18-7-8-21(27-18)17-26-13-10-19(11-14-26)15-25(2)16-20-9-12-24-23-6-4-3-5-22(20)23/h3-9,12,19H,10-11,13-17H2,1-2H3
InChIKeyVVKMTYDCEOZCKH-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.48
Rot. Bonds6

About N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine

N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 42531493) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
PubChem CID42531493
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine
SMILESCc1ccc(CN2CCC(CN(C)Cc3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C23H29N3O/c1-18-7-8-21(27-18)17-26-13-10-19(11-14-26)15-25(2)16-20-9-12-24-23-6-4-3-5-22(20)23/h3-9,12,19H,10-11,13-17H2,1-2H3
InChIKeyVVKMTYDCEOZCKH-UHFFFAOYSA-N
XLogP4.48
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine with MolForge

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Related Compounds

N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 26410385
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
CID 42515245
2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 25383853
4-[[methyl(quinolin-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 28642233
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanamine
CID 25385850
(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 97273438
N-methyl-1-[6-[(5-methylfuran-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 118747039
2-N,2-N-dimethyl-4-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 172900281
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
1-[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 128999142
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine (CID 42531493) is N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine is Cc1ccc(CN2CCC(CN(C)Cc3ccnc4ccccc34)CC2)o1.
What is the InChIKey of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is VVKMTYDCEOZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-7-8-21(27-18)17-26-13-10-19(11-14-26)15-25(2)16-20-9-12-24-23-6-4-3-5-22(20)23/h3-9,12,19H,10-11,13-17H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine?
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine has a molecular weight of 363.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(quinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 42531493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).