3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide

C21H27N3O2 — CID 119846178

IUPAC3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(OCc2cccnc2)c1)C1CCNCC1
InChIInChI=1S/C21H27N3O2/c1-16(18-7-10-22-11-8-18)12-21(25)24-19-5-2-6-20(13-19)26-15-17-4-3-9-23-14-17/h2-6,9,13-14,16,18,22H,7-8,10-12,15H2,1H3,(H,24,25)
InChIKeyRHAPNPBVPVAVKB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.62
Rot. Bonds7

About 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide

3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide (PubChem CID 119846178) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
PubChem CID119846178
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(OCc2cccnc2)c1)C1CCNCC1
InChIInChI=1S/C21H27N3O2/c1-16(18-7-10-22-11-8-18)12-21(25)24-19-5-2-6-20(13-19)26-15-17-4-3-9-23-14-17/h2-6,9,13-14,16,18,22H,7-8,10-12,15H2,1H3,(H,24,25)
InChIKeyRHAPNPBVPVAVKB-UHFFFAOYSA-N
XLogP3.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
CID 119848540
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119872984
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide (CID 119846178) is 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide is CC(CC(=O)Nc1cccc(OCc2cccnc2)c1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide?
The InChIKey is RHAPNPBVPVAVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(18-7-10-22-11-8-18)12-21(25)24-19-5-2-6-20(13-19)26-15-17-4-3-9-23-14-17/h2-6,9,13-14,16,18,22H,7-8,10-12,15H2,1H3,(H,24,25).
What are the key properties of 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide?
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 119846178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).