(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide

C37H38N4O2 — CID 56859027

IUPAC(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C37H38N4O2/c42-36(38-17-16-30-21-39-35-11-4-3-10-34(30)35)31-19-32(37(43)40-33-15-14-27-8-5-9-29(27)20-33)24-41(23-31)22-25-12-13-26-6-1-2-7-28(26)18-25/h1-4,6-7,10-15,18,20-21,31-32,39H,5,8-9,16-17,19,22-24H2,(H,38,42)(H,40,43)/t31-,32+/m0/s1
InChIKeyPERHZHHEFLTHLU-AJQTZOPKSA-N
MW570.74 g/mol
LogP6.25
Rot. Bonds8

About (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide

(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide (PubChem CID 56859027) has the molecular formula C37H38N4O2 and a molecular weight of 570.74 g/mol. Its IUPAC name is (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide
PubChem CID56859027
Molecular FormulaC37H38N4O2
Molecular Weight570.74 g/mol
Exact Mass570.30
IUPAC Name(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C37H38N4O2/c42-36(38-17-16-30-21-39-35-11-4-3-10-34(30)35)31-19-32(37(43)40-33-15-14-27-8-5-9-29(27)20-33)24-41(23-31)22-25-12-13-26-6-1-2-7-28(26)18-25/h1-4,6-7,10-15,18,20-21,31-32,39H,5,8-9,16-17,19,22-24H2,(H,38,42)(H,40,43)/t31-,32+/m0/s1
InChIKeyPERHZHHEFLTHLU-AJQTZOPKSA-N
XLogP6.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide with MolForge

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Related Compounds

(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(3-fluorophenyl)methyl]-1-(1H-indol-3-ylmethyl)piperidine-3,5-dicarboxamide
CID 56859073
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112528829
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 92633470
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199515
(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(pyridin-4-ylmethyl)piperidine-3,5-dicarboxamide
CID 56859918
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
CID 56858429
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 56858142

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide (CID 56859027) is (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide?
The InChIKey is PERHZHHEFLTHLU-AJQTZOPKSA-N. The full InChI is InChI=1S/C37H38N4O2/c42-36(38-17-16-30-21-39-35-11-4-3-10-34(30)35)31-19-32(37(43)40-33-15-14-27-8-5-9-29(27)20-33)24-41(23-31)22-25-12-13-26-6-1-2-7-28(26)18-25/h1-4,6-7,10-15,18,20-21,31-32,39H,5,8-9,16-17,19,22-24H2,(H,38,42)(H,40,43)/t31-,32+/m0/s1.
What are the key properties of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide?
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide has a molecular weight of 570.74 g/mol, XLogP of 6.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[2-(1H-indol-3-yl)ethyl]-1-(naphthalen-2-ylmethyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 56859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).