1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

C11H25N5O — CID 117235833

IUPAC1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)NCCCN)CC1
InChIInChI=1S/C11H25N5O/c1-15-7-9-16(10-8-15)6-5-14-11(17)13-4-2-3-12/h2-10,12H2,1H3,(H2,13,14,17)
InChIKeyUMSIOBIJUWNSTE-UHFFFAOYSA-N
MW243.35 g/mol
LogP-1.12
Rot. Bonds6

About 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (PubChem CID 117235833) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
PubChem CID117235833
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC Name1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
SMILESCN1CCN(CCNC(=O)NCCCN)CC1
InChIInChI=1S/C11H25N5O/c1-15-7-9-16(10-8-15)6-5-14-11(17)13-4-2-3-12/h2-10,12H2,1H3,(H2,13,14,17)
InChIKeyUMSIOBIJUWNSTE-UHFFFAOYSA-N
XLogP-1.12
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea (CID 117235833) is 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is CN1CCN(CCNC(=O)NCCCN)CC1.
What is the InChIKey of 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
The InChIKey is UMSIOBIJUWNSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-15-7-9-16(10-8-15)6-5-14-11(17)13-4-2-3-12/h2-10,12H2,1H3,(H2,13,14,17).
What are the key properties of 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea?
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea has a molecular weight of 243.35 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 117235833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).