N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide

C19H41N7O2 — CID 159281568

IUPACN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/C10H21N3O.C9H20N4O/c1-3-4-11-10(14)9-13-7-5-12(2)6-8-13;1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h3-9H2,1-2H3,(H,11,14);2-8,10H2,1H3,(H,11,14)
InChIKeyKYZDOTHXNKLHJK-UHFFFAOYSA-N
MW399.58 g/mol
LogP-1.93
Rot. Bonds8

About N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide

N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide (PubChem CID 159281568) has the molecular formula C19H41N7O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide
PubChem CID159281568
Molecular FormulaC19H41N7O2
Molecular Weight399.58 g/mol
Exact Mass399.33
IUPAC NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/C10H21N3O.C9H20N4O/c1-3-4-11-10(14)9-13-7-5-12(2)6-8-13;1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h3-9H2,1-2H3,(H,11,14);2-8,10H2,1H3,(H,11,14)
InChIKeyKYZDOTHXNKLHJK-UHFFFAOYSA-N
XLogP-1.93
TPSA97.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide (CID 159281568) is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide is CCCNC(=O)CN1CCN(C)CC1.CN1CCN(CC(=O)NCCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide?
The InChIKey is KYZDOTHXNKLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C9H20N4O/c1-3-4-11-10(14)9-13-7-5-12(2)6-8-13;1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h3-9H2,1-2H3,(H,11,14);2-8,10H2,1H3,(H,11,14).
What are the key properties of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide?
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide has a molecular weight of 399.58 g/mol, XLogP of -1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;2-(4-methylpiperazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 159281568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).