N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide

C15H22ClN3O2 — CID 43575264

IUPACN-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCN2CCCC(O)C2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c16-13-6-5-11(9-14(13)17)18-15(21)4-2-8-19-7-1-3-12(20)10-19/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21)
InChIKeyJIAYUOLVXJWBQA-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.10
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide

N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide (PubChem CID 43575264) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
PubChem CID43575264
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCN2CCCC(O)C2)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c16-13-6-5-11(9-14(13)17)18-15(21)4-2-8-19-7-1-3-12(20)10-19/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21)
InChIKeyJIAYUOLVXJWBQA-UHFFFAOYSA-N
XLogP2.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 29053524
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide (CID 43575264) is N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide is Nc1cc(NC(=O)CCCN2CCCC(O)C2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide?
The InChIKey is JIAYUOLVXJWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-6-5-11(9-14(13)17)18-15(21)4-2-8-19-7-1-3-12(20)10-19/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide?
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide has a molecular weight of 311.81 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide is sourced from PubChem (CID 43575264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).