(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid

C19H26N4O4 — CID 70774229

IUPAC(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)CC1
InChIInChI=1S/C19H26N4O4/c1-21(2)19(27)22-9-5-14(6-10-22)17(24)23-11-15(16(12-23)18(25)26)13-3-7-20-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3,(H,25,26)/t15-,16+/m0/s1
InChIKeyZYCGJZRVUBYDOQ-JKSUJKDBSA-N
MW374.44 g/mol
LogP1.10
Rot. Bonds3

About (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid

(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 70774229) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
PubChem CID70774229
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)CC1
InChIInChI=1S/C19H26N4O4/c1-21(2)19(27)22-9-5-14(6-10-22)17(24)23-11-15(16(12-23)18(25)26)13-3-7-20-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3,(H,25,26)/t15-,16+/m0/s1
InChIKeyZYCGJZRVUBYDOQ-JKSUJKDBSA-N
XLogP1.10
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70736183
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
(3S,4R)-1-(1-acetylpiperidine-4-carbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70709412
(3S,4R)-1-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72889732
(3S,4R)-1-(cyclohexylmethylcarbamoyl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 86283474
1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 78086001
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110203913
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
(3S,4S)-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 167966048
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid (CID 70774229) is (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid is CN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)CC1.
What is the InChIKey of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is ZYCGJZRVUBYDOQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21(2)19(27)22-9-5-14(6-10-22)17(24)23-11-15(16(12-23)18(25)26)13-3-7-20-8-4-13/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3,(H,25,26)/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid?
(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70774229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).