(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide

C27H33N3O2 — CID 56858429

IUPAC(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)CN(CCc2ccccc2)C1
InChIInChI=1S/C27H33N3O2/c31-26(28-24-11-12-24)22-15-23(18-30(17-22)14-13-19-5-2-1-3-6-19)27(32)29-25-10-9-20-7-4-8-21(20)16-25/h1-3,5-6,9-10,16,22-24H,4,7-8,11-15,17-18H2,(H,28,31)(H,29,32)/t22-,23+/m0/s1
InChIKeyBDSJZQYWAXPJHS-XZOQPEGZSA-N
MW431.58 g/mol
LogP3.57
Rot. Bonds7

About (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide

(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide (PubChem CID 56858429) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
PubChem CID56858429
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)CN(CCc2ccccc2)C1
InChIInChI=1S/C27H33N3O2/c31-26(28-24-11-12-24)22-15-23(18-30(17-22)14-13-19-5-2-1-3-6-19)27(32)29-25-10-9-20-7-4-8-21(20)16-25/h1-3,5-6,9-10,16,22-24H,4,7-8,11-15,17-18H2,(H,28,31)(H,29,32)/t22-,23+/m0/s1
InChIKeyBDSJZQYWAXPJHS-XZOQPEGZSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-N-(2,3-dihydro-1H-inden-5-yl)-5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56852094
(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(pyridin-4-ylmethyl)piperidine-3,5-dicarboxamide
CID 56859918
(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56859153
(3S,5R)-3-N-cyclohexyl-5-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3,5-dicarboxamide
CID 56859378
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
tert-butyl (2S,4S)-2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)-4-(4-phenylbutanoylamino)pyrrolidine-1-carboxylate
CID 70174260
(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854204
(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)-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
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide?
The IUPAC name of (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide (CID 56858429) is (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide?
The canonical SMILES for (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide is O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)CN(CCc2ccccc2)C1.
What is the InChIKey of (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide?
The InChIKey is BDSJZQYWAXPJHS-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26(28-24-11-12-24)22-15-23(18-30(17-22)14-13-19-5-2-1-3-6-19)27(32)29-25-10-9-20-7-4-8-21(20)16-25/h1-3,5-6,9-10,16,22-24H,4,7-8,11-15,17-18H2,(H,28,31)(H,29,32)/t22-,23+/m0/s1.
What are the key properties of (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide?
(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide is sourced from PubChem (CID 56858429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).