[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C19H28FN3O3 — CID 67530463

IUPAC[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCCN(c1ccc(F)cc1)C1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1
InChIInChI=1S/C19H28FN3O3/c1-4-23(15-7-5-14(20)6-8-15)16-9-11-22(12-10-16)18(24)17(13(2)3)21-19(25)26/h5-8,13,16-17,21H,4,9-12H2,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyXIAFCYOCYFEPCN-KRWDZBQOSA-N
MW365.45 g/mol
LogP2.94
Rot. Bonds6

About [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 67530463) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID67530463
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCCN(c1ccc(F)cc1)C1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1
InChIInChI=1S/C19H28FN3O3/c1-4-23(15-7-5-14(20)6-8-15)16-9-11-22(12-10-16)18(24)17(13(2)3)21-19(25)26/h5-8,13,16-17,21H,4,9-12H2,1-3H3,(H,25,26)/t17-/m0/s1
InChIKeyXIAFCYOCYFEPCN-KRWDZBQOSA-N
XLogP2.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67529442
N-[(2R)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99795481
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
6-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174706
(2S)-2-amino-1-[4-[4-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)anilino]piperidin-1-yl]-3-methylpentan-1-one
CID 54493961
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 119662801
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
1-[(2R)-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 95782465
1-[(2S)-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 95782466

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 67530463) is [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CCN(c1ccc(F)cc1)C1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1.
What is the InChIKey of [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is XIAFCYOCYFEPCN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-4-23(15-7-5-14(20)6-8-15)16-9-11-22(12-10-16)18(24)17(13(2)3)21-19(25)26/h5-8,13,16-17,21H,4,9-12H2,1-3H3,(H,25,26)/t17-/m0/s1.
What are the key properties of [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 365.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(N-ethyl-4-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 67530463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).