N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide

C17H24ClN3O2 — CID 119757165

IUPACN-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C17H24ClN3O2/c1-11(13-5-7-19-8-6-13)9-17(23)21-16-10-14(18)3-4-15(16)20-12(2)22/h3-4,10-11,13,19H,5-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCGSJPJUGPDSAND-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.26
Rot. Bonds5

About N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide

N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119757165) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
PubChem CID119757165
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C17H24ClN3O2/c1-11(13-5-7-19-8-6-13)9-17(23)21-16-10-14(18)3-4-15(16)20-12(2)22/h3-4,10-11,13,19H,5-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCGSJPJUGPDSAND-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119743221
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide (CID 119757165) is N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide is CC(=O)Nc1ccc(Cl)cc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is CGSJPJUGPDSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-11(13-5-7-19-8-6-13)9-17(23)21-16-10-14(18)3-4-15(16)20-12(2)22/h3-4,10-11,13,19H,5-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide?
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 337.85 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119757165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).