(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide

C26H35N5O3 — CID 10298578

IUPAC(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C26H35N5O3/c27-25(33)24-11-6-14-31(24)18-21(32)17-30-15-12-20(13-16-30)28-26(34)29-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-5,7-10,20-21,24,32H,6,11-18H2,(H2,27,33)(H2,28,29,34)/t21?,24-/m0/s1
InChIKeyGMICHUYQKLFFGM-FHZUCYEKSA-N
MW465.60 g/mol
LogP2.25
Rot. Bonds8

About (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide

(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide (PubChem CID 10298578) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
PubChem CID10298578
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1CC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C26H35N5O3/c27-25(33)24-11-6-14-31(24)18-21(32)17-30-15-12-20(13-16-30)28-26(34)29-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-5,7-10,20-21,24,32H,6,11-18H2,(H2,27,33)(H2,28,29,34)/t21?,24-/m0/s1
InChIKeyGMICHUYQKLFFGM-FHZUCYEKSA-N
XLogP2.25
TPSA110.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-hydroxybutyl)piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 20598464
1-[1-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10159533
1-[1-[4-(ethylamino)-2-hydroxybutyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10024565
N-[1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidin-3-yl]-N-methylacetamide
CID 10117446
1-[1-[2-hydroxy-3-[2-hydroxyethyl(pentyl)amino]propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10184490
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 65449436
1-[1-[3-(octylamino)propyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 10226760
1-(2-phenylphenyl)-3-[1-[3-(4-phenyl-4-propanoylpiperidin-1-yl)propyl]piperidin-4-yl]urea
CID 10280903
1-[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenyl]ethyl]amino]nonyl]piperidin-4-yl]-3-(2-phenylphenyl)urea
CID 11342445
1-(2-phenylphenyl)-3-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461532

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide (CID 10298578) is (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1CC(O)CN1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
The InChIKey is GMICHUYQKLFFGM-FHZUCYEKSA-N. The full InChI is InChI=1S/C26H35N5O3/c27-25(33)24-11-6-14-31(24)18-21(32)17-30-15-12-20(13-16-30)28-26(34)29-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-5,7-10,20-21,24,32H,6,11-18H2,(H2,27,33)(H2,28,29,34)/t21?,24-/m0/s1.
What are the key properties of (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-hydroxy-3-[4-[(2-phenylphenyl)carbamoylamino]piperidin-1-yl]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10298578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).