4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide

C27H29N3O3 — CID 95809696

IUPAC4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-14-7-19(8-15-23)9-16-26(31)30-17-3-4-22(18-30)25-6-2-5-24(29-25)20-10-12-21(13-11-20)27(28)32/h2,5-8,10-15,22H,3-4,9,16-18H2,1H3,(H2,28,32)/t22-/m1/s1
InChIKeyOLZDYONKUXHSNP-JOCHJYFZSA-N
MW443.55 g/mol
LogP4.19
Rot. Bonds7

About 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide

4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 95809696) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID95809696
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-14-7-19(8-15-23)9-16-26(31)30-17-3-4-22(18-30)25-6-2-5-24(29-25)20-10-12-21(13-11-20)27(28)32/h2,5-8,10-15,22H,3-4,9,16-18H2,1H3,(H2,28,32)/t22-/m1/s1
InChIKeyOLZDYONKUXHSNP-JOCHJYFZSA-N
XLogP4.19
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
3-(4-methoxyphenyl)-1-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110263839
1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95838850
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95810396
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide (CID 95809696) is 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide is COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1.
What is the InChIKey of 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is OLZDYONKUXHSNP-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-23-14-7-19(8-15-23)9-16-26(31)30-17-3-4-22(18-30)25-6-2-5-24(29-25)20-10-12-21(13-11-20)27(28)32/h2,5-8,10-15,22H,3-4,9,16-18H2,1H3,(H2,28,32)/t22-/m1/s1.
What are the key properties of 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide?
4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 95809696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).