5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide

C23H29ClN2O3 — CID 56552188

IUPAC5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-16(2)29-22-8-7-19(24)13-21(22)23(28)25-14-17-3-5-18(6-4-17)15-26-11-9-20(27)10-12-26/h3-8,13,16,20,27H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyBOMGBXZGEUUXHN-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.01
Rot. Bonds7

About 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide

5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide (PubChem CID 56552188) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
PubChem CID56552188
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-16(2)29-22-8-7-19(24)13-21(22)23(28)25-14-17-3-5-18(6-4-17)15-26-11-9-20(27)10-12-26/h3-8,13,16,20,27H,9-12,14-15H2,1-2H3,(H,25,28)
InChIKeyBOMGBXZGEUUXHN-UHFFFAOYSA-N
XLogP4.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 56552055
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 56552234
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide (CID 56552188) is 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide?
The InChIKey is BOMGBXZGEUUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-16(2)29-22-8-7-19(24)13-21(22)23(28)25-14-17-3-5-18(6-4-17)15-26-11-9-20(27)10-12-26/h3-8,13,16,20,27H,9-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide?
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide has a molecular weight of 416.95 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 56552188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).