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

C24H29N3O3 — CID 25289998

IUPAC3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CCC(=O)c2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C24H29N3O3/c28-22(21-6-2-1-3-7-21)9-11-24(30)27-15-12-19(13-16-27)8-10-23(29)26-18-20-5-4-14-25-17-20/h1-7,14,17,19H,8-13,15-16,18H2,(H,26,29)
InChIKeyQKQDGPFXUJHTAY-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.38
Rot. Bonds9

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

3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 25289998) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID25289998
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)CCC(=O)c2ccccc2)CC1)NCc1cccnc1
InChIInChI=1S/C24H29N3O3/c28-22(21-6-2-1-3-7-21)9-11-24(30)27-15-12-19(13-16-27)8-10-23(29)26-18-20-5-4-14-25-17-20/h1-7,14,17,19H,8-13,15-16,18H2,(H,26,29)
InChIKeyQKQDGPFXUJHTAY-UHFFFAOYSA-N
XLogP3.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45190596
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56719004
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55690688
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42595602
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42288785
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
3-[1-[(2,2-dimethyloxan-4-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45236973

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 25289998) is 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)CCC(=O)c2ccccc2)CC1)NCc1cccnc1.
What is the InChIKey of 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QKQDGPFXUJHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22(21-6-2-1-3-7-21)9-11-24(30)27-15-12-19(13-16-27)8-10-23(29)26-18-20-5-4-14-25-17-20/h1-7,14,17,19H,8-13,15-16,18H2,(H,26,29).
What are the key properties of 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 407.51 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 25289998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).