N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

C27H34Cl2N2O3 — CID 11752478

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O3/c1-33-25-9-7-21(16-26(25)34-15-12-20-6-8-22(28)17-24(20)29)27(32)30-18-19-10-13-31(14-11-19)23-4-2-3-5-23/h6-9,16-17,19,23H,2-5,10-15,18H2,1H3,(H,30,32)
InChIKeyKFNZXKNDQYZEAS-UHFFFAOYSA-N
MW505.49 g/mol
LogP6.01
Rot. Bonds9

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (PubChem CID 11752478) has the molecular formula C27H34Cl2N2O3 and a molecular weight of 505.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
PubChem CID11752478
Molecular FormulaC27H34Cl2N2O3
Molecular Weight505.49 g/mol
Exact Mass504.19
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O3/c1-33-25-9-7-21(16-26(25)34-15-12-20-6-8-22(28)17-24(20)29)27(32)30-18-19-10-13-31(14-11-19)23-4-2-3-5-23/h6-9,16-17,19,23H,2-5,10-15,18H2,1H3,(H,30,32)
InChIKeyKFNZXKNDQYZEAS-UHFFFAOYSA-N
XLogP6.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide (CID 11752478) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCN(C3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
The InChIKey is KFNZXKNDQYZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2N2O3/c1-33-25-9-7-21(16-26(25)34-15-12-20-6-8-22(28)17-24(20)29)27(32)30-18-19-10-13-31(14-11-19)23-4-2-3-5-23/h6-9,16-17,19,23H,2-5,10-15,18H2,1H3,(H,30,32).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide has a molecular weight of 505.49 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide is sourced from PubChem (CID 11752478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).