(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

C19H26FN3O4 — CID 110875982

IUPAC(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C19H26FN3O4/c1-26-14-6-7-15(17(11-14)27-2)21-19(25)23-12-13(20)10-16(23)18(24)22-8-4-3-5-9-22/h6-7,11,13,16H,3-5,8-10,12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1
InChIKeySMRWJXJLPOFHNX-BBRMVZONSA-N
MW379.43 g/mol
LogP2.66
Rot. Bonds4

About (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 110875982) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
PubChem CID110875982
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C19H26FN3O4/c1-26-14-6-7-15(17(11-14)27-2)21-19(25)23-12-13(20)10-16(23)18(24)22-8-4-3-5-9-22/h6-7,11,13,16H,3-5,8-10,12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1
InChIKeySMRWJXJLPOFHNX-BBRMVZONSA-N
XLogP2.66
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (CID 110875982) is (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCCCC2)c(OC)c1.
What is the InChIKey of (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is SMRWJXJLPOFHNX-BBRMVZONSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-26-14-6-7-15(17(11-14)27-2)21-19(25)23-12-13(20)10-16(23)18(24)22-8-4-3-5-9-22/h6-7,11,13,16H,3-5,8-10,12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1.
What are the key properties of (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2,4-dimethoxyphenyl)-4-fluoro-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110875982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).