3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C23H29N3O3 — CID 42516784

IUPAC3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CCOc2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C23H29N3O3/c27-22(25-18-20-5-4-13-24-17-20)9-8-19-10-14-26(15-11-19)23(28)12-16-29-21-6-2-1-3-7-21/h1-7,13,17,19H,8-12,14-16,18H2,(H,25,27)
InChIKeyDFKNZPMQYHXERJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.19
Rot. Bonds9

About 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42516784) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42516784
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CCOc2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C23H29N3O3/c27-22(25-18-20-5-4-13-24-17-20)9-8-19-10-14-26(15-11-19)23(28)12-16-29-21-6-2-1-3-7-21/h1-7,13,17,19H,8-12,14-16,18H2,(H,25,27)
InChIKeyDFKNZPMQYHXERJ-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45190596
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 42516784) is 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)CCOc2ccccc2)CC1)NCc1cccnc1.
What is the InChIKey of 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is DFKNZPMQYHXERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(25-18-20-5-4-13-24-17-20)9-8-19-10-14-26(15-11-19)23(28)12-16-29-21-6-2-1-3-7-21/h1-7,13,17,19H,8-12,14-16,18H2,(H,25,27).
What are the key properties of 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42516784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).