N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide

C15H30N4O — CID 70285576

IUPACN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-14(20)16-5-8-18-9-11-19(12-10-18)13-15-3-6-17(2)7-4-15/h15H,3-13H2,1-2H3,(H,16,20)
InChIKeyDFHDETOAPUKLKD-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.08
Rot. Bonds5

About N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 70285576) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide
PubChem CID70285576
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-14(20)16-5-8-18-9-11-19(12-10-18)13-15-3-6-17(2)7-4-15/h15H,3-13H2,1-2H3,(H,16,20)
InChIKeyDFHDETOAPUKLKD-UHFFFAOYSA-N
XLogP0.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide (CID 70285576) is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is DFHDETOAPUKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-14(20)16-5-8-18-9-11-19(12-10-18)13-15-3-6-17(2)7-4-15/h15H,3-13H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).