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

C20H32N4O2 — CID 142429287

IUPACN-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCN(C)c1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-23(2)19-5-3-4-18(22-19)16-6-11-24(12-7-16)13-10-21-20(25)17-8-14-26-15-9-17/h3-5,16-17H,6-15H2,1-2H3,(H,21,25)
InChIKeyCRPFIYXBQORQJX-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.87
Rot. Bonds6

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

N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 142429287) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID142429287
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCN(C)c1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-23(2)19-5-3-4-18(22-19)16-6-11-24(12-7-16)13-10-21-20(25)17-8-14-26-15-9-17/h3-5,16-17H,6-15H2,1-2H3,(H,21,25)
InChIKeyCRPFIYXBQORQJX-UHFFFAOYSA-N
XLogP1.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.87
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-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 142429287) is N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is CN(C)c1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is CRPFIYXBQORQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-23(2)19-5-3-4-18(22-19)16-6-11-24(12-7-16)13-10-21-20(25)17-8-14-26-15-9-17/h3-5,16-17H,6-15H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.87, 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-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 142429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).