N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

C23H25ClN2O3 — CID 24818865

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H25ClN2O3/c24-21-7-2-1-4-18(21)15-25-22(27)17-5-3-6-20(14-17)29-19-10-12-26(13-11-19)23(28)16-8-9-16/h1-7,14,16,19H,8-13,15H2,(H,25,27)
InChIKeyRXPVTNMMNZNKSW-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 24818865) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
PubChem CID24818865
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C23H25ClN2O3/c24-21-7-2-1-4-18(21)15-25-22(27)17-5-3-6-20(14-17)29-19-10-12-26(13-11-19)23(28)16-8-9-16/h1-7,14,16,19H,8-13,15H2,(H,25,27)
InChIKeyRXPVTNMMNZNKSW-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (CID 24818865) is N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccccc1Cl)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is RXPVTNMMNZNKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-21-7-2-1-4-18(21)15-25-22(27)17-5-3-6-20(14-17)29-19-10-12-26(13-11-19)23(28)16-8-9-16/h1-7,14,16,19H,8-13,15H2,(H,25,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24818865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).