5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide

C24H30N4O4 — CID 123277304

IUPAC5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)nc3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-19-3-5-20(6-4-19)32-21-10-14-28(15-11-21)24(30)17-2-7-22(26-16-17)23(29)27-18-8-12-25-13-9-18/h2-7,16,18,21,25H,8-15H2,1H3,(H,27,29)
InChIKeyHUUVBUYHBVQMPD-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.26
Rot. Bonds6

About 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide

5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 123277304) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
PubChem CID123277304
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
SMILESCOc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)nc3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-19-3-5-20(6-4-19)32-21-10-14-28(15-11-21)24(30)17-2-7-22(26-16-17)23(29)27-18-8-12-25-13-9-18/h2-7,16,18,21,25H,8-15H2,1H3,(H,27,29)
InChIKeyHUUVBUYHBVQMPD-UHFFFAOYSA-N
XLogP2.26
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide (CID 123277304) is 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide is COc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
The InChIKey is HUUVBUYHBVQMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-19-3-5-20(6-4-19)32-21-10-14-28(15-11-21)24(30)17-2-7-22(26-16-17)23(29)27-18-8-12-25-13-9-18/h2-7,16,18,21,25H,8-15H2,1H3,(H,27,29).
What are the key properties of 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide?
5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 123277304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).