N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide

C22H28ClN3O — CID 45234534

IUPACN-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
SMILESCC(Cc1cccnc1)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H28ClN3O/c1-17(15-19-5-4-12-24-16-19)26-13-10-18(11-14-26)8-9-22(27)25-21-7-3-2-6-20(21)23/h2-7,12,16-18H,8-11,13-15H2,1H3,(H,25,27)
InChIKeyPMFBWYZOUMMNRI-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.80
Rot. Bonds7

About N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide (PubChem CID 45234534) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
PubChem CID45234534
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
SMILESCC(Cc1cccnc1)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H28ClN3O/c1-17(15-19-5-4-12-24-16-19)26-13-10-18(11-14-26)8-9-22(27)25-21-7-3-2-6-20(21)23/h2-7,12,16-18H,8-11,13-15H2,1H3,(H,25,27)
InChIKeyPMFBWYZOUMMNRI-UHFFFAOYSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
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CID 112519927
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
CID 25289024
2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide (CID 45234534) is N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide is CC(Cc1cccnc1)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide?
The InChIKey is PMFBWYZOUMMNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-17(15-19-5-4-12-24-16-19)26-13-10-18(11-14-26)8-9-22(27)25-21-7-3-2-6-20(21)23/h2-7,12,16-18H,8-11,13-15H2,1H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide has a molecular weight of 385.94 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45234534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).