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

C17H31N3O2 — CID 139515819

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-22-14-17(13-18-15-5-6-15)7-11-20(12-8-17)16(21)19-9-3-2-4-10-19/h15,18H,2-14H2,1H3
InChIKeyPLZHWZDXUOURKY-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.07
Rot. Bonds5

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

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 139515819) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone
PubChem CID139515819
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-22-14-17(13-18-15-5-6-15)7-11-20(12-8-17)16(21)19-9-3-2-4-10-19/h15,18H,2-14H2,1H3
InChIKeyPLZHWZDXUOURKY-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone (CID 139515819) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone is COCC1(CNC2CC2)CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is PLZHWZDXUOURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-22-14-17(13-18-15-5-6-15)7-11-20(12-8-17)16(21)19-9-3-2-4-10-19/h15,18H,2-14H2,1H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 309.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 139515819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).