4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

C23H27ClN2O3 — CID 53150257

IUPAC4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OCC2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-8-10-21(11-9-18)29-15-17-5-4-12-26(14-17)23(28)19-6-3-7-20(24)13-19/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,25,27)
InChIKeyNLRYWNSHAHVNOX-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.41
Rot. Bonds6

About 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide

4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 53150257) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID53150257
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OCC2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-8-10-21(11-9-18)29-15-17-5-4-12-26(14-17)23(28)19-6-3-7-20(24)13-19/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,25,27)
InChIKeyNLRYWNSHAHVNOX-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide (CID 53150257) is 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OCC2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is NLRYWNSHAHVNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16(2)25-22(27)18-8-10-21(11-9-18)29-15-17-5-4-12-26(14-17)23(28)19-6-3-7-20(24)13-19/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,25,27).
What are the key properties of 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 414.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53150257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).