6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C22H26ClN3O4 — CID 91914108

IUPAC6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)cc1Cl
InChIInChI=1S/C22H26ClN3O4/c1-25(2)22(28)16-5-7-20(24-14-16)30-17-8-10-26(11-9-17)21(27)13-15-4-6-19(29-3)18(23)12-15/h4-7,12,14,17H,8-11,13H2,1-3H3
InChIKeyIVOXVPZPEDTZPB-UHFFFAOYSA-N
MW431.92 g/mol
LogP3.06
Rot. Bonds6

About 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91914108) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91914108
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)cc1Cl
InChIInChI=1S/C22H26ClN3O4/c1-25(2)22(28)16-5-7-20(24-14-16)30-17-8-10-26(11-9-17)21(27)13-15-4-6-19(29-3)18(23)12-15/h4-7,12,14,17H,8-11,13H2,1-3H3
InChIKeyIVOXVPZPEDTZPB-UHFFFAOYSA-N
XLogP3.06
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91914108) is 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is COc1ccc(CC(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)cc1Cl.
What is the InChIKey of 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is IVOXVPZPEDTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-25(2)22(28)16-5-7-20(24-14-16)30-17-8-10-26(11-9-17)21(27)13-15-4-6-19(29-3)18(23)12-15/h4-7,12,14,17H,8-11,13H2,1-3H3.
What are the key properties of 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91914108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).