4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide

C32H38ClN3O2 — CID 44532648

IUPAC4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc2c(c1C1CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)CC1)CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-30-15-12-23-6-2-3-7-28(23)31(30)25-16-20-36(21-17-25)19-5-4-18-34-32(37)26-10-8-24(9-11-26)29-14-13-27(33)22-35-29/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37)
InChIKeyCUBLLJHFBIQRIH-UHFFFAOYSA-N
MW532.13 g/mol
LogP6.68
Rot. Bonds9

About 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide

4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 44532648) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide
PubChem CID44532648
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc2c(c1C1CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)CC1)CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-30-15-12-23-6-2-3-7-28(23)31(30)25-16-20-36(21-17-25)19-5-4-18-34-32(37)26-10-8-24(9-11-26)29-14-13-27(33)22-35-29/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37)
InChIKeyCUBLLJHFBIQRIH-UHFFFAOYSA-N
XLogP6.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide (CID 44532648) is 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide is COc1ccc2c(c1C1CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cn4)cc3)CC1)CCCC2.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is CUBLLJHFBIQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-38-30-15-12-23-6-2-3-7-28(23)31(30)25-16-20-36(21-17-25)19-5-4-18-34-32(37)26-10-8-24(9-11-26)29-14-13-27(33)22-35-29/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide?
4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 532.13 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).