N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide

C27H29Cl2N3O — CID 129105372

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide
SMILESCc1cc(Cl)c(-c2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)ccc2Cl)cn1
InChIInChI=1S/C27H29Cl2N3O/c1-19-15-26(29)24(17-31-19)23-16-22(7-8-25(23)28)27(33)30-12-9-20-10-13-32(14-11-20)18-21-5-3-2-4-6-21/h2-8,15-17,20H,9-14,18H2,1H3,(H,30,33)
InChIKeyWQYJCWXIFPYEGM-UHFFFAOYSA-N
MW482.46 g/mol
LogP6.40
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide (PubChem CID 129105372) has the molecular formula C27H29Cl2N3O and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide
PubChem CID129105372
Molecular FormulaC27H29Cl2N3O
Molecular Weight482.46 g/mol
Exact Mass481.17
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide
SMILESCc1cc(Cl)c(-c2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)ccc2Cl)cn1
InChIInChI=1S/C27H29Cl2N3O/c1-19-15-26(29)24(17-31-19)23-16-22(7-8-25(23)28)27(33)30-12-9-20-10-13-32(14-11-20)18-21-5-3-2-4-6-21/h2-8,15-17,20H,9-14,18H2,1H3,(H,30,33)
InChIKeyWQYJCWXIFPYEGM-UHFFFAOYSA-N
XLogP6.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide (CID 129105372) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide is Cc1cc(Cl)c(-c2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)ccc2Cl)cn1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide?
The InChIKey is WQYJCWXIFPYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N3O/c1-19-15-26(29)24(17-31-19)23-16-22(7-8-25(23)28)27(33)30-12-9-20-10-13-32(14-11-20)18-21-5-3-2-4-6-21/h2-8,15-17,20H,9-14,18H2,1H3,(H,30,33).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide has a molecular weight of 482.46 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chloro-3-(4-chloro-6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 129105372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).