N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C17H22ClN3O3 — CID 108559770

IUPACN-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H22ClN3O3/c18-9-6-16(23)21-10-7-14(8-11-21)20-15(22)12-19-17(24)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,24)(H,20,22)
InChIKeyIOYFAKRQQFDVKI-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.15
Rot. Bonds6

About N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 108559770) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID108559770
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H22ClN3O3/c18-9-6-16(23)21-10-7-14(8-11-21)20-15(22)12-19-17(24)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,24)(H,20,22)
InChIKeyIOYFAKRQQFDVKI-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 108559770) is N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC1CCN(C(=O)CCCl)CC1.
What is the InChIKey of N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is IOYFAKRQQFDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-9-6-16(23)21-10-7-14(8-11-21)20-15(22)12-19-17(24)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,24)(H,20,22).
What are the key properties of N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108559770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).