(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid

C19H25N3O5 — CID 162636899

IUPAC(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(N3CCNC3=O)c2)CC[C@@H]1O
InChIInChI=1S/C19H25N3O5/c1-2-7-19(17(25)26)12-21(9-6-15(19)23)16(24)13-4-3-5-14(11-13)22-10-8-20-18(22)27/h3-5,11,15,23H,2,6-10,12H2,1H3,(H,20,27)(H,25,26)/t15-,19+/m0/s1
InChIKeyDPRFMDYJQWSOAX-HNAYVOBHSA-N
MW375.43 g/mol
LogP1.29
Rot. Bonds5

About (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 162636899) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID162636899
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(N3CCNC3=O)c2)CC[C@@H]1O
InChIInChI=1S/C19H25N3O5/c1-2-7-19(17(25)26)12-21(9-6-15(19)23)16(24)13-4-3-5-14(11-13)22-10-8-20-18(22)27/h3-5,11,15,23H,2,6-10,12H2,1H3,(H,20,27)(H,25,26)/t15-,19+/m0/s1
InChIKeyDPRFMDYJQWSOAX-HNAYVOBHSA-N
XLogP1.29
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(2-chloro-5-pyrazol-1-ylbenzoyl)-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 163319265
(3R,4R)-1-(3-fluoro-2-methylbenzoyl)-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 163308747
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
(3R,4R)-4-hydroxy-1-[4-(2-methyltetrazol-5-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 163318853
(3R,4R)-1-[3-(dimethylamino)benzoyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 162625582
(3R,4R)-4-hydroxy-1-(3-methoxybenzoyl)-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 162635456
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
N-(5-bromo-2-pyridinyl)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55930639
(3R,4S)-1-[2-(4-fluorophenyl)acetyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 162630367
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059
(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylbenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 163314978
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid (CID 162636899) is (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid is CCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(N3CCNC3=O)c2)CC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is DPRFMDYJQWSOAX-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-2-7-19(17(25)26)12-21(9-6-15(19)23)16(24)13-4-3-5-14(11-13)22-10-8-20-18(22)27/h3-5,11,15,23H,2,6-10,12H2,1H3,(H,20,27)(H,25,26)/t15-,19+/m0/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 162636899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).