2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

C23H29ClN2O3 — CID 55946356

IUPAC2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(C)Oc3cc(C)ccc3Cl)CC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-16-7-8-21(24)22(13-16)29-17(2)23(27)25-19-9-11-26(12-10-19)15-18-5-4-6-20(14-18)28-3/h4-8,13-14,17,19H,9-12,15H2,1-3H3,(H,25,27)
InChIKeyBPLXFKRTTKCQPX-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.21
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 55946356) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID55946356
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(C)Oc3cc(C)ccc3Cl)CC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-16-7-8-21(24)22(13-16)29-17(2)23(27)25-19-9-11-26(12-10-19)15-18-5-4-6-20(14-18)28-3/h4-8,13-14,17,19H,9-12,15H2,1-3H3,(H,25,27)
InChIKeyBPLXFKRTTKCQPX-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 90832663
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55945836
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (CID 55946356) is 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is COc1cccc(CN2CCC(NC(=O)C(C)Oc3cc(C)ccc3Cl)CC2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is BPLXFKRTTKCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-16-7-8-21(24)22(13-16)29-17(2)23(27)25-19-9-11-26(12-10-19)15-18-5-4-6-20(14-18)28-3/h4-8,13-14,17,19H,9-12,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 416.95 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).