(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide

C23H29N3O — CID 131906221

IUPAC(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H29N3O/c24-23(27)22(15-17-5-2-1-3-6-17)25-20-11-13-26(14-12-20)21-10-9-18-7-4-8-19(18)16-21/h1-3,5-6,9-10,16,20,22,25H,4,7-8,11-15H2,(H2,24,27)/t22-/m0/s1
InChIKeyZEUQNELAJWVSJT-QFIPXVFZSA-N
MW363.51 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide

(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide (PubChem CID 131906221) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
PubChem CID131906221
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H29N3O/c24-23(27)22(15-17-5-2-1-3-6-17)25-20-11-13-26(14-12-20)21-10-9-18-7-4-8-19(18)16-21/h1-3,5-6,9-10,16,20,22,25H,4,7-8,11-15H2,(H2,24,27)/t22-/m0/s1
InChIKeyZEUQNELAJWVSJT-QFIPXVFZSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide (CID 131906221) is (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide is NC(=O)[C@H](Cc1ccccc1)NC1CCN(c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide?
The InChIKey is ZEUQNELAJWVSJT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O/c24-23(27)22(15-17-5-2-1-3-6-17)25-20-11-13-26(14-12-20)21-10-9-18-7-4-8-19(18)16-21/h1-3,5-6,9-10,16,20,22,25H,4,7-8,11-15H2,(H2,24,27)/t22-/m0/s1.
What are the key properties of (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide?
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide has a molecular weight of 363.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide is sourced from PubChem (CID 131906221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).