2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide

C22H26ClN3O3 — CID 42517368

IUPAC2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1)c1ccncc1
InChIInChI=1S/C22H26ClN3O3/c1-3-20(16-6-10-24-11-7-16)25-22(28)19-14-17(23)4-5-21(19)29-18-8-12-26(13-9-18)15(2)27/h4-7,10-11,14,18,20H,3,8-9,12-13H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyPJCOVRZTHYHOQJ-HXUWFJFHSA-N
MW415.92 g/mol
LogP4.01
Rot. Bonds6

About 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide

2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide (PubChem CID 42517368) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide
PubChem CID42517368
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1)c1ccncc1
InChIInChI=1S/C22H26ClN3O3/c1-3-20(16-6-10-24-11-7-16)25-22(28)19-14-17(23)4-5-21(19)29-18-8-12-26(13-9-18)15(2)27/h4-7,10-11,14,18,20H,3,8-9,12-13H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyPJCOVRZTHYHOQJ-HXUWFJFHSA-N
XLogP4.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide (CID 42517368) is 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide is CC[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1)c1ccncc1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide?
The InChIKey is PJCOVRZTHYHOQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-3-20(16-6-10-24-11-7-16)25-22(28)19-14-17(23)4-5-21(19)29-18-8-12-26(13-9-18)15(2)27/h4-7,10-11,14,18,20H,3,8-9,12-13H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide?
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1R)-1-pyridin-4-ylpropyl]benzamide is sourced from PubChem (CID 42517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).