N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide

C16H23ClN2O — CID 78027407

IUPACN-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide
SMILESCCC(NC(C)=O)c1cc(Cl)ccc1C1CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(19-11(2)20)15-10-13(17)4-5-14(15)12-6-8-18-9-7-12/h4-5,10,12,16,18H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyJXGFCLXTMNPUNT-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide

N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide (PubChem CID 78027407) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide
PubChem CID78027407
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide
SMILESCCC(NC(C)=O)c1cc(Cl)ccc1C1CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-16(19-11(2)20)15-10-13(17)4-5-14(15)12-6-8-18-9-7-12/h4-5,10,12,16,18H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyJXGFCLXTMNPUNT-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-chloro-2-[8-[3-[(3R,4R)-3-(2,4-difluorophenyl)piperidin-4-yl]-3-methylbutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]phenyl]propyl]acetamide;hydrochloride
CID 173142564
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
4-(5-chloro-2-propan-2-ylphenyl)piperidine
CID 84700493
N-[1-[2-[8-[(3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-chlorophenyl]propyl]acetamide;hydrochloride
CID 173090188
N-[(1S)-1-[2-[1-[(4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-fluoro-4-methylphenyl]propyl]acetamide
CID 59671827
N-[(1R)-1-[2-[1-[(4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-4-fluoro-5-methylphenyl]propyl]acetamide
CID 59671864
N-[1-[2-[1-[(4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-4-chloro-5-methylphenyl]propyl]acetamide
CID 71121988
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
tert-butyl 4-[2-[(1S)-1-acetamidoethyl]-4-chlorophenyl]piperidine-1-carboxylate
CID 11668043
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide?
The IUPAC name of N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide (CID 78027407) is N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide.
What is the SMILES notation for N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide?
The canonical SMILES for N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide is CCC(NC(C)=O)c1cc(Cl)ccc1C1CCNCC1.
What is the InChIKey of N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide?
The InChIKey is JXGFCLXTMNPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-16(19-11(2)20)15-10-13(17)4-5-14(15)12-6-8-18-9-7-12/h4-5,10,12,16,18H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide?
N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-piperidin-4-ylphenyl)propyl]acetamide is sourced from PubChem (CID 78027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).