3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride

C18H25Cl2N5O — CID 120612580

IUPAC3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H23N5O.2ClH/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18;;/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24);2*1H
InChIKeyZMVHVOJRIBSEHK-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.62
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride

3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride (PubChem CID 120612580) has the molecular formula C18H25Cl2N5O and a molecular weight of 398.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
PubChem CID120612580
Molecular FormulaC18H25Cl2N5O
Molecular Weight398.34 g/mol
Exact Mass397.14
IUPAC Name3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1CCC(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H23N5O.2ClH/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18;;/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24);2*1H
InChIKeyZMVHVOJRIBSEHK-UHFFFAOYSA-N
XLogP2.62
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride (CID 120612580) is 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride is Cl.Cl.Nc1ccccc1CCC(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The InChIKey is ZMVHVOJRIBSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.2ClH/c19-16-7-2-1-5-14(16)8-9-17(24)22-15-6-3-12-23(13-15)18-20-10-4-11-21-18;;/h1-2,4-5,7,10-11,15H,3,6,8-9,12-13,19H2,(H,22,24);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride has a molecular weight of 398.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120612580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).