N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide

C22H23ClFN3O — CID 16673789

IUPACN-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C22H23ClFN3O/c1-15(28)26-22(16-6-8-17(24)9-7-16)10-12-27(13-11-22)14-20-21(23)18-4-2-3-5-19(18)25-20/h2-9,25H,10-14H2,1H3,(H,26,28)
InChIKeyZMPHOWSNAJVHMD-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.59
Rot. Bonds4

About N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide

N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide (PubChem CID 16673789) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
PubChem CID16673789
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC NameN-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C22H23ClFN3O/c1-15(28)26-22(16-6-8-17(24)9-7-16)10-12-27(13-11-22)14-20-21(23)18-4-2-3-5-19(18)25-20/h2-9,25H,10-14H2,1H3,(H,26,28)
InChIKeyZMPHOWSNAJVHMD-UHFFFAOYSA-N
XLogP4.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide (CID 16673789) is N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide is CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccccc3c2Cl)CC1.
What is the InChIKey of N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
The InChIKey is ZMPHOWSNAJVHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c1-15(28)26-22(16-6-8-17(24)9-7-16)10-12-27(13-11-22)14-20-21(23)18-4-2-3-5-19(18)25-20/h2-9,25H,10-14H2,1H3,(H,26,28).
What are the key properties of N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide?
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 16673789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).