(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate

C19H22Cl2FN3O5 — CID 10139568

IUPAC(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESNC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)CF
InChIInChI=1S/C19H22Cl2FN3O5/c20-12-5-4-11(7-13(12)21)10-30-19(29)25-6-2-1-3-15(25)18(28)24-14(8-17(23)27)16(26)9-22/h4-5,7,14-15H,1-3,6,8-10H2,(H2,23,27)(H,24,28)/t14?,15-/m0/s1
InChIKeyPRXUUGOLDVYUMD-LOACHALJSA-N
MW462.31 g/mol
LogP2.38
Rot. Bonds8

About (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate

(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 10139568) has the molecular formula C19H22Cl2FN3O5 and a molecular weight of 462.31 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID10139568
Molecular FormulaC19H22Cl2FN3O5
Molecular Weight462.31 g/mol
Exact Mass461.09
IUPAC Name(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESNC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)CF
InChIInChI=1S/C19H22Cl2FN3O5/c20-12-5-4-11(7-13(12)21)10-30-19(29)25-6-2-1-3-15(25)18(28)24-14(8-17(23)27)16(26)9-22/h4-5,7,14-15H,1-3,6,8-10H2,(H2,23,27)(H,24,28)/t14?,15-/m0/s1
InChIKeyPRXUUGOLDVYUMD-LOACHALJSA-N
XLogP2.38
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate (CID 10139568) is (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate is NC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)CF.
What is the InChIKey of (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is PRXUUGOLDVYUMD-LOACHALJSA-N. The full InChI is InChI=1S/C19H22Cl2FN3O5/c20-12-5-4-11(7-13(12)21)10-30-19(29)25-6-2-1-3-15(25)18(28)24-14(8-17(23)27)16(26)9-22/h4-5,7,14-15H,1-3,6,8-10H2,(H2,23,27)(H,24,28)/t14?,15-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate?
(3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 462.31 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl (2S)-2-[(1-amino-5-fluoro-1,4-dioxopentan-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 10139568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).