N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C24H33N3O3 — CID 46956896

IUPACN-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C3CCN(Cc4ccc(C)o4)CC3)N(C)C2)cc1
InChIInChI=1S/C24H33N3O3/c1-17-4-7-22(30-17)16-27-12-10-18(11-13-27)23-14-19(15-26(23)2)24(28)25-20-5-8-21(29-3)9-6-20/h4-9,18-19,23H,10-16H2,1-3H3,(H,25,28)
InChIKeyRTNJXWGHXBAIJY-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.77
Rot. Bonds6

About N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide

N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 46956896) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID46956896
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C3CCN(Cc4ccc(C)o4)CC3)N(C)C2)cc1
InChIInChI=1S/C24H33N3O3/c1-17-4-7-22(30-17)16-27-12-10-18(11-13-27)23-14-19(15-26(23)2)24(28)25-20-5-8-21(29-3)9-6-20/h4-9,18-19,23H,10-16H2,1-3H3,(H,25,28)
InChIKeyRTNJXWGHXBAIJY-UHFFFAOYSA-N
XLogP3.77
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 93240238
N-(4-fluorophenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956838
(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124820774
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
N-(4-fluorophenyl)-1-methyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 46956837
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565446
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 26322313
(3R,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92565447
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92581391
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
(3S,5R)-N-(4-fluorophenyl)-1-methyl-5-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92563409
(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 92589623

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 46956896) is N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(C3CCN(Cc4ccc(C)o4)CC3)N(C)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is RTNJXWGHXBAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-4-7-22(30-17)16-27-12-10-18(11-13-27)23-14-19(15-26(23)2)24(28)25-20-5-8-21(29-3)9-6-20/h4-9,18-19,23H,10-16H2,1-3H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46956896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).