3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide

C17H26N4O — CID 39112878

IUPAC3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
SMILESCN1CCN(c2ccc(CCC(=O)NC3CC3)cc2N)CC1
InChIInChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)16-6-2-13(12-15(16)18)3-7-17(22)19-14-4-5-14/h2,6,12,14H,3-5,7-11,18H2,1H3,(H,19,22)
InChIKeyWLNJNSKQMCUOQN-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.23
Rot. Bonds5

About 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide

3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide (PubChem CID 39112878) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
PubChem CID39112878
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
SMILESCN1CCN(c2ccc(CCC(=O)NC3CC3)cc2N)CC1
InChIInChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)16-6-2-13(12-15(16)18)3-7-17(22)19-14-4-5-14/h2,6,12,14H,3-5,7-11,18H2,1H3,(H,19,22)
InChIKeyWLNJNSKQMCUOQN-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
CID 39112865
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 99972464
N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
3-(1,3-benzodioxol-5-yl)-N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclopentyl]propanamide
CID 56893110

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide (CID 39112878) is 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide is CN1CCN(c2ccc(CCC(=O)NC3CC3)cc2N)CC1.
What is the InChIKey of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide?
The InChIKey is WLNJNSKQMCUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20-8-10-21(11-9-20)16-6-2-13(12-15(16)18)3-7-17(22)19-14-4-5-14/h2,6,12,14H,3-5,7-11,18H2,1H3,(H,19,22).
What are the key properties of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide?
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 39112878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).