N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C17H21F3N2O3 — CID 129345648

IUPACN-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11(23)21-13-5-8-15(17(18,19)20)22(10-13)16(24)9-12-3-6-14(25-2)7-4-12/h3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,21,23)/t13-,15-/m0/s1
InChIKeyHZKWSZBCGKCLQO-ZFWWWQNUSA-N
MW358.36 g/mol
LogP2.30
Rot. Bonds4

About N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345648) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345648
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11(23)21-13-5-8-15(17(18,19)20)22(10-13)16(24)9-12-3-6-14(25-2)7-4-12/h3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,21,23)/t13-,15-/m0/s1
InChIKeyHZKWSZBCGKCLQO-ZFWWWQNUSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345648) is N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is COc1ccc(CC(=O)N2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)cc1.
What is the InChIKey of N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is HZKWSZBCGKCLQO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11(23)21-13-5-8-15(17(18,19)20)22(10-13)16(24)9-12-3-6-14(25-2)7-4-12/h3-4,6-7,13,15H,5,8-10H2,1-2H3,(H,21,23)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 358.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6S)-1-[2-(4-methoxyphenyl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).