N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide

C21H27N3O3 — CID 119893842

IUPACN-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(Oc2ccc(NC(=O)CC(C)C3CCNCC3)cn2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(16-9-11-22-12-10-16)13-20(25)24-17-3-8-21(23-14-17)27-19-6-4-18(26-2)5-7-19/h3-8,14-16,22H,9-13H2,1-2H3,(H,24,25)
InChIKeyAKZBBNWZLOPFEH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.85
Rot. Bonds7

About N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide

N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide (PubChem CID 119893842) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
PubChem CID119893842
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(Oc2ccc(NC(=O)CC(C)C3CCNCC3)cn2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(16-9-11-22-12-10-16)13-20(25)24-17-3-8-21(23-14-17)27-19-6-4-18(26-2)5-7-19/h3-8,14-16,22H,9-13H2,1-2H3,(H,24,25)
InChIKeyAKZBBNWZLOPFEH-UHFFFAOYSA-N
XLogP3.85
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119872984
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
CID 119893892
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide (CID 119893842) is N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide is COc1ccc(Oc2ccc(NC(=O)CC(C)C3CCNCC3)cn2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The InChIKey is AKZBBNWZLOPFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(16-9-11-22-12-10-16)13-20(25)24-17-3-8-21(23-14-17)27-19-6-4-18(26-2)5-7-19/h3-8,14-16,22H,9-13H2,1-2H3,(H,24,25).
What are the key properties of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide has a molecular weight of 369.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119893842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).