1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

C14H28N4O — CID 55559318

IUPAC1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCC(C)C(CNC(=O)NC1CC1)N1CCN(C)CC1
InChIInChI=1S/C14H28N4O/c1-11(2)13(18-8-6-17(3)7-9-18)10-15-14(19)16-12-4-5-12/h11-13H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyLGXXTFGSKHWIJV-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.72
Rot. Bonds5

About 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (PubChem CID 55559318) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
PubChem CID55559318
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCC(C)C(CNC(=O)NC1CC1)N1CCN(C)CC1
InChIInChI=1S/C14H28N4O/c1-11(2)13(18-8-6-17(3)7-9-18)10-15-14(19)16-12-4-5-12/h11-13H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyLGXXTFGSKHWIJV-UHFFFAOYSA-N
XLogP0.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
1-(3-hydroxy-4-methylpentyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 111504437
1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
CID 110403648
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
1-(2-ethyl-2-hydroxybutyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110910079
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
CID 102779046

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (CID 55559318) is 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is CC(C)C(CNC(=O)NC1CC1)N1CCN(C)CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The InChIKey is LGXXTFGSKHWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)13(18-8-6-17(3)7-9-18)10-15-14(19)16-12-4-5-12/h11-13H,4-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea has a molecular weight of 268.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is sourced from PubChem (CID 55559318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).