2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide

C12H25N3O2 — CID 43776232

IUPAC2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(O)CNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-10(16)8-13-11-4-6-15(7-5-11)9-12(17)14(2)3/h10-11,13,16H,4-9H2,1-3H3
InChIKeyPWVCSFGQFOOMHD-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.49
Rot. Bonds5

About 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43776232) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43776232
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCC(O)CNC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-10(16)8-13-11-4-6-15(7-5-11)9-12(17)14(2)3/h10-11,13,16H,4-9H2,1-3H3
InChIKeyPWVCSFGQFOOMHD-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43776232) is 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide is CC(O)CNC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PWVCSFGQFOOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(16)8-13-11-4-6-15(7-5-11)9-12(17)14(2)3/h10-11,13,16H,4-9H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43776232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).