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

C16H29N3O2 — CID 139515874

IUPAC[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-21-13-16(12-17-14-4-5-14)6-10-19(11-7-16)15(20)18-8-2-3-9-18/h14,17H,2-13H2,1H3
InChIKeyYVNIJCZXSWBWHZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.68
Rot. Bonds5

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

[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 139515874) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID139515874
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOCC1(CNC2CC2)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-21-13-16(12-17-14-4-5-14)6-10-19(11-7-16)15(20)18-8-2-3-9-18/h14,17H,2-13H2,1H3
InChIKeyYVNIJCZXSWBWHZ-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.68
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 139515874) is [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is COCC1(CNC2CC2)CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YVNIJCZXSWBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-21-13-16(12-17-14-4-5-14)6-10-19(11-7-16)15(20)18-8-2-3-9-18/h14,17H,2-13H2,1H3.
What are the key properties of [4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 295.43 g/mol, XLogP of 1.68, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 139515874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).