N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide

C17H26ClN3O — CID 82224757

IUPACN-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
SMILESCC1CCN(C(C(=O)Nc2ccc(N)cc2Cl)C(C)C)CC1
InChIInChI=1S/C17H26ClN3O/c1-11(2)16(21-8-6-12(3)7-9-21)17(22)20-15-5-4-13(19)10-14(15)18/h4-5,10-12,16H,6-9,19H2,1-3H3,(H,20,22)
InChIKeySQKPOVKXZPHAKR-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.62
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide

N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide (PubChem CID 82224757) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
PubChem CID82224757
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
SMILESCC1CCN(C(C(=O)Nc2ccc(N)cc2Cl)C(C)C)CC1
InChIInChI=1S/C17H26ClN3O/c1-11(2)16(21-8-6-12(3)7-9-21)17(22)20-15-5-4-13(19)10-14(15)18/h4-5,10-12,16H,6-9,19H2,1-3H3,(H,20,22)
InChIKeySQKPOVKXZPHAKR-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 16779551
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
CID 82224763
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102778011
3-methyl-2-(4-methylpiperidin-1-yl)butanehydrazide
CID 43906589
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide (CID 82224757) is N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide is CC1CCN(C(C(=O)Nc2ccc(N)cc2Cl)C(C)C)CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
The InChIKey is SQKPOVKXZPHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-11(2)16(21-8-6-12(3)7-9-21)17(22)20-15-5-4-13(19)10-14(15)18/h4-5,10-12,16H,6-9,19H2,1-3H3,(H,20,22).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide?
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide has a molecular weight of 323.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 82224757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).