(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone

C12H23N3O — CID 69120148

IUPAC(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone
SMILESCN1CCCNC(C(=O)C2CCCNC2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-3-6-14-11(9-15)12(16)10-4-2-5-13-8-10/h10-11,13-14H,2-9H2,1H3
InChIKeyDTXLAFTVAJKJLG-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.15
Rot. Bonds2

About (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone

(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone (PubChem CID 69120148) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone
PubChem CID69120148
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone
SMILESCN1CCCNC(C(=O)C2CCCNC2)C1
InChIInChI=1S/C12H23N3O/c1-15-7-3-6-14-11(9-15)12(16)10-4-2-5-13-8-10/h10-11,13-14H,2-9H2,1H3
InChIKeyDTXLAFTVAJKJLG-UHFFFAOYSA-N
XLogP-0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone (CID 69120148) is (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone is CN1CCCNC(C(=O)C2CCCNC2)C1.
What is the InChIKey of (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone?
The InChIKey is DTXLAFTVAJKJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-7-3-6-14-11(9-15)12(16)10-4-2-5-13-8-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone?
(4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 69120148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).