(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide

C18H25F2N3O3 — CID 119806156

IUPAC(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C18H25F2N3O3/c1-11(2)10-14(21)16(24)22-15-4-3-9-23(17(15)25)12-5-7-13(8-6-12)26-18(19)20/h5-8,11,14-15,18H,3-4,9-10,21H2,1-2H3,(H,22,24)/t14-,15?/m0/s1
InChIKeyAIZBWBGDUDIQTR-MLCCFXAWSA-N
MW369.41 g/mol
LogP2.27
Rot. Bonds7

About (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide (PubChem CID 119806156) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
PubChem CID119806156
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC Name(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C18H25F2N3O3/c1-11(2)10-14(21)16(24)22-15-4-3-9-23(17(15)25)12-5-7-13(8-6-12)26-18(19)20/h5-8,11,14-15,18H,3-4,9-10,21H2,1-2H3,(H,22,24)/t14-,15?/m0/s1
InChIKeyAIZBWBGDUDIQTR-MLCCFXAWSA-N
XLogP2.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-3-methoxypropanamide;hydrochloride
CID 120990960
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
2-(4-aminophenyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]acetamide
CID 119806116
4-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxane-4-carboxamide
CID 120935390
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119806149
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
(2S,5R)-5-(aminomethyl)-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]oxolane-2-carboxamide
CID 120795138
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-6-(2-methylpropyl)-1H-indole-2-carboxamide
CID 166328086
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119336385
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
3-[[[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122031444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide (CID 119806156) is (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide?
The InChIKey is AIZBWBGDUDIQTR-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-11(2)10-14(21)16(24)22-15-4-3-9-23(17(15)25)12-5-7-13(8-6-12)26-18(19)20/h5-8,11,14-15,18H,3-4,9-10,21H2,1-2H3,(H,22,24)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide has a molecular weight of 369.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 119806156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).