N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide

C19H29N3O3 — CID 146330158

IUPACN-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCOc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(21-18)15-5-10-22(11-6-15)12-9-20-19(23)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,23)
InChIKeyNOINDEFTVTZLJT-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide

N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 146330158) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID146330158
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCOc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(21-18)15-5-10-22(11-6-15)12-9-20-19(23)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,23)
InChIKeyNOINDEFTVTZLJT-UHFFFAOYSA-N
XLogP1.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 146330158) is N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide is COc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is NOINDEFTVTZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-18-4-2-3-17(21-18)15-5-10-22(11-6-15)12-9-20-19(23)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methoxy-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 146330158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).