(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide

C22H29N3O2 — CID 125163791

IUPAC(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(Cc3ccc(C)o3)CC1)N2
InChIInChI=1S/C22H29N3O2/c1-15-3-6-20-18(11-15)12-21(24-20)22(26)23-13-17-7-9-25(10-8-17)14-19-5-4-16(2)27-19/h3-6,11,17,21,24H,7-10,12-14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyVECXAFOMSAHWAX-OAQYLSRUSA-N
MW367.49 g/mol
LogP3.26
Rot. Bonds5

About (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 125163791) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID125163791
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(Cc3ccc(C)o3)CC1)N2
InChIInChI=1S/C22H29N3O2/c1-15-3-6-20-18(11-15)12-21(24-20)22(26)23-13-17-7-9-25(10-8-17)14-19-5-4-16(2)27-19/h3-6,11,17,21,24H,7-10,12-14H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyVECXAFOMSAHWAX-OAQYLSRUSA-N
XLogP3.26
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72914217
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923243
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide
CID 70737130
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
methyl 4-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methylcarbamoylamino]benzoate
CID 118789012
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72867403
1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 118795656
5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 72854386
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
CID 71070796
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380027
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 125163791) is (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc2c(c1)C[C@H](C(=O)NCC1CCN(Cc3ccc(C)o3)CC1)N2.
What is the InChIKey of (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VECXAFOMSAHWAX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-3-6-20-18(11-15)12-21(24-20)22(26)23-13-17-7-9-25(10-8-17)14-19-5-4-16(2)27-19/h3-6,11,17,21,24H,7-10,12-14H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 125163791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).