(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C20H29N3O2 — CID 100649892

IUPAC(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c1C
InChIInChI=1S/C20H29N3O2/c1-14-6-3-8-17(15(14)2)20(25)23-11-5-7-16(13-23)12-22-19(24)18-9-4-10-21-18/h3,6,8,16,18,21H,4-5,7,9-13H2,1-2H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyCQPWHIFLXDZAIF-SJLPKXTDSA-N
MW343.47 g/mol
LogP2.02
Rot. Bonds4

About (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 100649892) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID100649892
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c1C
InChIInChI=1S/C20H29N3O2/c1-14-6-3-8-17(15(14)2)20(25)23-11-5-7-16(13-23)12-22-19(24)18-9-4-10-21-18/h3,6,8,16,18,21H,4-5,7,9-13H2,1-2H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyCQPWHIFLXDZAIF-SJLPKXTDSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
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CID 100649814
N-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556934
(2,3-dimethylphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132317
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124692085
(2S)-N-[[(3R)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649493
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 100649892) is (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)c1C.
What is the InChIKey of (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CQPWHIFLXDZAIF-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-6-3-8-17(15(14)2)20(25)23-11-5-7-16(13-23)12-22-19(24)18-9-4-10-21-18/h3,6,8,16,18,21H,4-5,7,9-13H2,1-2H3,(H,22,24)/t16-,18-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100649892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).