(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide

C24H29N3O2 — CID 56852887

IUPAC(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-5-7-17(8-6-16)13-26-23(28)20-11-21(15-25-14-20)24(29)27-22-10-9-18-3-2-4-19(18)12-22/h5-10,12,20-21,25H,2-4,11,13-15H2,1H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
InChIKeyRQOHHKJPIJHICB-LEWJYISDSA-N
MW391.52 g/mol
LogP2.96
Rot. Bonds5

About (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide

(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide (PubChem CID 56852887) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
PubChem CID56852887
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1
InChIInChI=1S/C24H29N3O2/c1-16-5-7-17(8-6-16)13-26-23(28)20-11-21(15-25-14-20)24(29)27-22-10-9-18-3-2-4-19(18)12-22/h5-10,12,20-21,25H,2-4,11,13-15H2,1H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
InChIKeyRQOHHKJPIJHICB-LEWJYISDSA-N
XLogP2.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide
CID 56858647
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(3,5-dimethylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]piperidine-3,5-dicarboxamide
CID 56852056
(3S,5R)-3-N-cyclohexyl-5-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3,5-dicarboxamide
CID 56859378
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
3-amino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115161265
(3S,5R)-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-(4-fluorophenyl)piperidine-3,5-dicarboxamide
CID 56855768
N-[[4-[4-(4-methylphenoxy)butanoylamino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119722645
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide (CID 56852887) is (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide is Cc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1.
What is the InChIKey of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide?
The InChIKey is RQOHHKJPIJHICB-LEWJYISDSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-5-7-17(8-6-16)13-26-23(28)20-11-21(15-25-14-20)24(29)27-22-10-9-18-3-2-4-19(18)12-22/h5-10,12,20-21,25H,2-4,11,13-15H2,1H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1.
What are the key properties of (3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide?
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 2.96, 5 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-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide is sourced from PubChem (CID 56852887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).