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

C14H22N4O — CID 170876139

IUPAC3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(C(N)CC(N)=O)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)12-4-2-11(3-5-12)13(15)10-14(16)19/h2-5,13H,6-10,15H2,1H3,(H2,16,19)
InChIKeyBXNJQHJHEVJGGH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.31
Rot. Bonds4

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

3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 170876139) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID170876139
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccc(C(N)CC(N)=O)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)12-4-2-11(3-5-12)13(15)10-14(16)19/h2-5,13H,6-10,15H2,1H3,(H2,16,19)
InChIKeyBXNJQHJHEVJGGH-UHFFFAOYSA-N
XLogP0.31
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 170828993
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
2-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]acetaldehyde
CID 87854614
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
3,4-dihydroxy-4-(4-piperazin-1-ylphenyl)butanamide
CID 171899991
3-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
CID 170876312

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 170876139) is 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is CN1CCN(c2ccc(C(N)CC(N)=O)cc2)CC1.
What is the InChIKey of 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is BXNJQHJHEVJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-6-8-18(9-7-17)12-4-2-11(3-5-12)13(15)10-14(16)19/h2-5,13H,6-10,15H2,1H3,(H2,16,19).
What are the key properties of 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 262.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 170876139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).