N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

C19H27N3O3 — CID 91916161

IUPACN-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-18(23)22(17-7-13-25-14-8-17)16-5-11-21(12-6-16)19(24)15-3-9-20-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3
InChIKeyLVUBFMQCTSNGJE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.10
Rot. Bonds4

About N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide

N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 91916161) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID91916161
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-18(23)22(17-7-13-25-14-8-17)16-5-11-21(12-6-16)19(24)15-3-9-20-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3
InChIKeyLVUBFMQCTSNGJE-UHFFFAOYSA-N
XLogP2.10
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide (CID 91916161) is N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LVUBFMQCTSNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-18(23)22(17-7-13-25-14-8-17)16-5-11-21(12-6-16)19(24)15-3-9-20-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91916161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).