2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

C19H22ClN3O — CID 1252627

IUPAC2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H22ClN3O/c20-17-6-7-18(21-13-17)22-19(24)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,21,22,24)
InChIKeyKGIJIAIPGMLATA-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 1252627) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID1252627
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H22ClN3O/c20-17-6-7-18(21-13-17)22-19(24)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,21,22,24)
InChIKeyKGIJIAIPGMLATA-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 1252627) is 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is KGIJIAIPGMLATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-6-7-18(21-13-17)22-19(24)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,21,22,24).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 343.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 1252627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).