Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone

Name: Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₃₀N₄O — CID 109264112

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACazepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone

SMILESO=C(c1cnc(N2CCC(Cc3ccccc3)CC2)nc1)N1CCCCCC1

InChIInChI=1S/C23H30N4O/c28-22(26-12-6-1-2-7-13-26)21-17-24-23(25-18-21)27-14-10-20(11-15-27)16-19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,1-2,6-7,10-16H2

InChIKeyGXIPZZBHYJILLP-UHFFFAOYSA-N

MW378.52 g/mol

LogP3.95

Rot. Bonds4

About Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone

Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109264112) has the molecular formula C₂₃H₃₀N₄O and a molecular weight of 378.52 g/mol. Its IUPAC name is azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name	Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
PubChem CID	109264112
Molecular Formula	C₂₃H₃₀N₄O
Molecular Weight	378.52 g/mol
Exact Mass	378.24
IUPAC Name	azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
SMILES	O=C(c1cnc(N2CCC(Cc3ccccc3)CC2)nc1)N1CCCCCC1
InChI	InChI=1S/C23H30N4O/c28-22(26-12-6-1-2-7-13-26)21-17-24-23(25-18-21)27-14-10-20(11-15-27)16-19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,1-2,6-7,10-16H2
InChIKey	GXIPZZBHYJILLP-UHFFFAOYSA-N
XLogP	3.95
TPSA	49.33 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone?

The IUPAC name of Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone (CID 109264112) is azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone.

What is the SMILES notation for Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone?

The canonical SMILES for Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone is O=C(c1cnc(N2CCC(Cc3ccccc3)CC2)nc1)N1CCCCCC1.

What is the InChIKey of Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone?

The InChIKey is GXIPZZBHYJILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-22(26-12-6-1-2-7-13-26)21-17-24-23(25-18-21)27-14-10-20(11-15-27)16-19-8-4-3-5-9-19/h3-5,8-9,17-18,20H,1-2,6-7,10-16H2.

What are the key properties of Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone?

Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109264112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 109264112 — identifiers, structure, computed properties (public domain)

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