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

C17H31N3O3 — CID 139515814

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3
InChIKeyVCJAJVSBMDWUEO-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.04
Rot. Bonds5

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

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 139515814) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID139515814
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3
InChIKeyVCJAJVSBMDWUEO-UHFFFAOYSA-N
XLogP1.04
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
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-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 139515814) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone is COCC1(CNC2CC2)CCN(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is VCJAJVSBMDWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-23-13-17(12-18-14-2-3-14)6-10-20(11-7-17)16(22)19-8-4-15(21)5-9-19/h14-15,18,21H,2-13H2,1H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 325.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 139515814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).