N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide

C19H27FN2O4 — CID 126814154

IUPACN-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCOc1cccc(C2(F)CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC2)c1
InChIInChI=1S/C19H27FN2O4/c1-13(2)17(24)21-16(12-23)18(25)22-9-7-19(20,8-10-22)14-5-4-6-15(11-14)26-3/h4-6,11,13,16,23H,7-10,12H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyQSTPAMBELYATDK-INIZCTEOSA-N
MW366.43 g/mol
LogP1.62
Rot. Bonds6

About N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide

N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 126814154) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID126814154
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCOc1cccc(C2(F)CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC2)c1
InChIInChI=1S/C19H27FN2O4/c1-13(2)17(24)21-16(12-23)18(25)22-9-7-19(20,8-10-22)14-5-4-6-15(11-14)26-3/h4-6,11,13,16,23H,7-10,12H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyQSTPAMBELYATDK-INIZCTEOSA-N
XLogP1.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide (CID 126814154) is N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide is COc1cccc(C2(F)CCN(C(=O)[C@H](CO)NC(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is QSTPAMBELYATDK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-13(2)17(24)21-16(12-23)18(25)22-9-7-19(20,8-10-22)14-5-4-6-15(11-14)26-3/h4-6,11,13,16,23H,7-10,12H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide?
N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 366.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-fluoro-4-(3-methoxyphenyl)piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 126814154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).