(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

C20H26N2O5 — CID 119371132

IUPAC(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C20H26N2O5/c23-18(10-13-27-16-7-2-1-3-8-16)21-11-4-6-15(14-21)19(24)22-12-5-9-17(22)20(25)26/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t15?,17-/m1/s1
InChIKeyGUQFJERUTDBZCI-OMOCHNIRSA-N
MW374.44 g/mol
LogP1.77
Rot. Bonds6

About (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371132) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119371132
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C20H26N2O5/c23-18(10-13-27-16-7-2-1-3-8-16)21-11-4-6-15(14-21)19(24)22-12-5-9-17(22)20(25)26/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t15?,17-/m1/s1
InChIKeyGUQFJERUTDBZCI-OMOCHNIRSA-N
XLogP1.77
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
1-[3-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55983270
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 119371132) is (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GUQFJERUTDBZCI-OMOCHNIRSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18(10-13-27-16-7-2-1-3-8-16)21-11-4-6-15(14-21)19(24)22-12-5-9-17(22)20(25)26/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t15?,17-/m1/s1.
What are the key properties of (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).