N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide

C25H28ClN3O — CID 45192488

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cccc3cccnc23)C1)NCc1ccccc1Cl
InChIInChI=1S/C25H28ClN3O/c26-23-11-2-1-7-21(23)16-28-24(30)13-12-19-6-5-15-29(17-19)18-22-9-3-8-20-10-4-14-27-25(20)22/h1-4,7-11,14,19H,5-6,12-13,15-18H2,(H,28,30)
InChIKeyHLXBPHJCXFTXQM-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.20
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45192488) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
PubChem CID45192488
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cccc3cccnc23)C1)NCc1ccccc1Cl
InChIInChI=1S/C25H28ClN3O/c26-23-11-2-1-7-21(23)16-28-24(30)13-12-19-6-5-15-29(17-19)18-22-9-3-8-20-10-4-14-27-25(20)22/h1-4,7-11,14,19H,5-6,12-13,15-18H2,(H,28,30)
InChIKeyHLXBPHJCXFTXQM-UHFFFAOYSA-N
XLogP5.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45214011
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
N-[(2-chlorophenyl)methyl]-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]propanamide
CID 45227061
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
N-[(2-chlorophenyl)methyl]-3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45248790
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089
N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
CID 25306946

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide (CID 45192488) is N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2cccc3cccnc23)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?
The InChIKey is HLXBPHJCXFTXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-23-11-2-1-7-21(23)16-28-24(30)13-12-19-6-5-15-29(17-19)18-22-9-3-8-20-10-4-14-27-25(20)22/h1-4,7-11,14,19H,5-6,12-13,15-18H2,(H,28,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 421.97 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).