2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide

C15H25N5O — CID 107355800

IUPAC2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-5-17-15(21)12-19-6-8-20(9-7-19)14-4-3-13(10-16)11-18-14/h3-4,11H,2,5-10,12,16H2,1H3,(H,17,21)
InChIKeyCDJNCTOEXRBUAS-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.19
Rot. Bonds6

About 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide

2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 107355800) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
PubChem CID107355800
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-5-17-15(21)12-19-6-8-20(9-7-19)14-4-3-13(10-16)11-18-14/h3-4,11H,2,5-10,12,16H2,1H3,(H,17,21)
InChIKeyCDJNCTOEXRBUAS-UHFFFAOYSA-N
XLogP0.19
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide (CID 107355800) is 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is CDJNCTOEXRBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-5-17-15(21)12-19-6-8-20(9-7-19)14-4-3-13(10-16)11-18-14/h3-4,11H,2,5-10,12,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 291.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 107355800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).