1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea

C14H28N4O — CID 71976500

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
SMILESCCC1(CNC(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H28N4O/c1-4-14(5-6-14)11-16-13(19)15-9-12-10-17(2)7-8-18(12)3/h12H,4-11H2,1-3H3,(H2,15,16,19)
InChIKeyFXWBSZMTNVDVLX-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.72
Rot. Bonds5

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea (PubChem CID 71976500) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
PubChem CID71976500
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
SMILESCCC1(CNC(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H28N4O/c1-4-14(5-6-14)11-16-13(19)15-9-12-10-17(2)7-8-18(12)3/h12H,4-11H2,1-3H3,(H2,15,16,19)
InChIKeyFXWBSZMTNVDVLX-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

Analyze 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea with MolForge

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Related Compounds

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 71850983
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-[[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65226816
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-[(3S)-3-phenylbutyl]urea
CID 95622136
(2S)-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 63898251
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]hexanoic acid
CID 63896583
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea (CID 71976500) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea is CCC1(CNC(=O)NCC2CN(C)CCN2C)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea?
The InChIKey is FXWBSZMTNVDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-14(5-6-14)11-16-13(19)15-9-12-10-17(2)7-8-18(12)3/h12H,4-11H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]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-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea is sourced from PubChem (CID 71976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).