N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide

C18H26ClN3O2 — CID 120816986

IUPACN-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
SMILESCC1(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CCC1N
InChIInChI=1S/C18H26ClN3O2/c1-18(2)12-22(11-9-15(18)20)16(23)4-3-10-21-17(24)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12,20H2,1-2H3,(H,21,24)
InChIKeyGPCLSRBEGCNBON-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.44
Rot. Bonds5

About N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide

N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide (PubChem CID 120816986) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
PubChem CID120816986
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
SMILESCC1(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CCC1N
InChIInChI=1S/C18H26ClN3O2/c1-18(2)12-22(11-9-15(18)20)16(23)4-3-10-21-17(24)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12,20H2,1-2H3,(H,21,24)
InChIKeyGPCLSRBEGCNBON-UHFFFAOYSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
CID 48734491
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
CID 119663213
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
5-(4-amino-3,3-dimethylpiperidin-1-yl)-5-oxo-N-propylpentanamide
CID 120816503
N-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutyl]-4-chlorobenzamide
CID 120658394
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120818369
4-chloro-N-[4-(2-methylpiperazin-1-yl)-4-oxobutyl]benzamide;hydrochloride
CID 119471862

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide (CID 120816986) is N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide is CC1(C)CN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CCC1N.
What is the InChIKey of N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is GPCLSRBEGCNBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-18(2)12-22(11-9-15(18)20)16(23)4-3-10-21-17(24)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12,20H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide?
N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 351.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 120816986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).