[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

C23H29ClN4O2 — CID 57400378

IUPAC[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncccc1C(OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22-20(7-6-12-25-22)21(17-8-10-18(24)11-9-17)30-19-15-28(16-19)23(29)27-13-4-3-5-14-27/h6-12,19,21H,3-5,13-16H2,1-2H3
InChIKeyZDGLZBVBKYHHGT-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.20
Rot. Bonds5

About [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 57400378) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
PubChem CID57400378
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncccc1C(OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O2/c1-26(2)22-20(7-6-12-25-22)21(17-8-10-18(24)11-9-17)30-19-15-28(16-19)23(29)27-13-4-3-5-14-27/h6-12,19,21H,3-5,13-16H2,1-2H3
InChIKeyZDGLZBVBKYHHGT-UHFFFAOYSA-N
XLogP4.20
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (CID 57400378) is [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is CN(C)c1ncccc1C(OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is ZDGLZBVBKYHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-26(2)22-20(7-6-12-25-22)21(17-8-10-18(24)11-9-17)30-19-15-28(16-19)23(29)27-13-4-3-5-14-27/h6-12,19,21H,3-5,13-16H2,1-2H3.
What are the key properties of [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
[3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 428.96 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)-[2-(dimethylamino)-3-pyridinyl]methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 57400378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).