1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea

C15H25N5O — CID 95249435

IUPAC1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea
SMILESCN1CCN(C)[C@H](CNC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H25N5O/c1-19-7-8-20(2)14(11-19)10-17-15(21)18-13-5-3-12(9-16)4-6-13/h3-6,14H,7-11,16H2,1-2H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyHQDZOJHAGNAEHU-CQSZACIVSA-N
MW291.40 g/mol
LogP0.51
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea

1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea (PubChem CID 95249435) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea
PubChem CID95249435
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea
SMILESCN1CCN(C)[C@H](CNC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C15H25N5O/c1-19-7-8-20(2)14(11-19)10-17-15(21)18-13-5-3-12(9-16)4-6-13/h3-6,14H,7-11,16H2,1-2H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyHQDZOJHAGNAEHU-CQSZACIVSA-N
XLogP0.51
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
1-[4-(aminomethyl)phenyl]-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 62132159
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(4-sulfamoylphenyl)urea
CID 95141083
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(4-propylphenyl)benzamide
CID 121499620
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
CID 71976500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea (CID 95249435) is 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea is CN1CCN(C)[C@H](CNC(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea?
The InChIKey is HQDZOJHAGNAEHU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-7-8-20(2)14(11-19)10-17-15(21)18-13-5-3-12(9-16)4-6-13/h3-6,14H,7-11,16H2,1-2H3,(H2,17,18,21)/t14-/m1/s1.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea?
1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea has a molecular weight of 291.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]urea is sourced from PubChem (CID 95249435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).