N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide

C19H28ClN3O3 — CID 119663213

IUPACN-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
SMILESNCCCOC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O3/c20-16-6-4-15(5-7-16)19(25)22-11-1-3-18(24)23-12-8-17(9-13-23)26-14-2-10-21/h4-7,17H,1-3,8-14,21H2,(H,22,25)
InChIKeySZOWRGCKZDEADV-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.21
Rot. Bonds9

About N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide

N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 119663213) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
PubChem CID119663213
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide
SMILESNCCCOC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN3O3/c20-16-6-4-15(5-7-16)19(25)22-11-1-3-18(24)23-12-8-17(9-13-23)26-14-2-10-21/h4-7,17H,1-3,8-14,21H2,(H,22,25)
InChIKeySZOWRGCKZDEADV-UHFFFAOYSA-N
XLogP2.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one
CID 119662797
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-4-chlorobenzamide;hydrochloride
CID 119411425
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374
N-[4-(4-amino-3,3-dimethylpiperidin-1-yl)-4-oxobutyl]-4-chlorobenzamide
CID 120816986
4-chloro-N-[4-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-4-oxobutyl]benzamide
CID 48734491
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119662784
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
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
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide (CID 119663213) is N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide is NCCCOC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is SZOWRGCKZDEADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c20-16-6-4-15(5-7-16)19(25)22-11-1-3-18(24)23-12-8-17(9-13-23)26-14-2-10-21/h4-7,17H,1-3,8-14,21H2,(H,22,25).
What are the key properties of N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 381.90 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-aminopropoxy)piperidin-1-yl]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 119663213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).