4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one

C20H28N4O — CID 71137776

IUPAC4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
SMILESCc1cc2c(CN3CCC(N4CCCNC(=O)C4)CC3)cccc2[nH]1
InChIInChI=1S/C20H28N4O/c1-15-12-18-16(4-2-5-19(18)22-15)13-23-10-6-17(7-11-23)24-9-3-8-21-20(25)14-24/h2,4-5,12,17,22H,3,6-11,13-14H2,1H3,(H,21,25)
InChIKeyWALDUHMMUDTWSW-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.26
Rot. Bonds3

About 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one

4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one (PubChem CID 71137776) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
PubChem CID71137776
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
SMILESCc1cc2c(CN3CCC(N4CCCNC(=O)C4)CC3)cccc2[nH]1
InChIInChI=1S/C20H28N4O/c1-15-12-18-16(4-2-5-19(18)22-15)13-23-10-6-17(7-11-23)24-9-3-8-21-20(25)14-24/h2,4-5,12,17,22H,3,6-11,13-14H2,1H3,(H,21,25)
InChIKeyWALDUHMMUDTWSW-UHFFFAOYSA-N
XLogP2.26
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one?
The IUPAC name of 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one (CID 71137776) is 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one is Cc1cc2c(CN3CCC(N4CCCNC(=O)C4)CC3)cccc2[nH]1.
What is the InChIKey of 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one?
The InChIKey is WALDUHMMUDTWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-12-18-16(4-2-5-19(18)22-15)13-23-10-6-17(7-11-23)24-9-3-8-21-20(25)14-24/h2,4-5,12,17,22H,3,6-11,13-14H2,1H3,(H,21,25).
What are the key properties of 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one?
4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one has a molecular weight of 340.47 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one is sourced from PubChem (CID 71137776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).