[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C17H32N4O2 — CID 139515929

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-9-11-21(12-10-19)16(22)20-7-5-17(6-8-20,14-23-2)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3
InChIKeyMYPMLVWSJWCYHG-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.83
Rot. Bonds5

About [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 139515929) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID139515929
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-9-11-21(12-10-19)16(22)20-7-5-17(6-8-20,14-23-2)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3
InChIKeyMYPMLVWSJWCYHG-UHFFFAOYSA-N
XLogP0.83
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 139515929) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is COCC1(CNC2CC2)CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MYPMLVWSJWCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-19-9-11-21(12-10-19)16(22)20-7-5-17(6-8-20,14-23-2)13-18-15-3-4-15/h15,18H,3-14H2,1-2H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 324.47 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 139515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).