2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide

C21H29N3O3 — CID 74230828

IUPAC2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCN(Cc3ccccn3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H29N3O3/c25-19-14-18(21(27-19)9-3-1-4-10-21)20(26)23-16-7-12-24(13-8-16)15-17-6-2-5-11-22-17/h2,5-6,11,16,18H,1,3-4,7-10,12-15H2,(H,23,26)
InChIKeyRIZVOSLSDWVVDN-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.43
Rot. Bonds4

About 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide

2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 74230828) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID74230828
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NC2CCN(Cc3ccccn3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H29N3O3/c25-19-14-18(21(27-19)9-3-1-4-10-21)20(26)23-16-7-12-24(13-8-16)15-17-6-2-5-11-22-17/h2,5-6,11,16,18H,1,3-4,7-10,12-15H2,(H,23,26)
InChIKeyRIZVOSLSDWVVDN-UHFFFAOYSA-N
XLogP2.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119901353
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55859758
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1,1-dioxo-N-[7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]thiolane-2-carboxamide
CID 131682443
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
2,4-dichloro-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058964
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide (CID 74230828) is 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NC2CCN(Cc3ccccn3)CC2)C2(CCCCC2)O1.
What is the InChIKey of 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is RIZVOSLSDWVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19-14-18(21(27-19)9-3-1-4-10-21)20(26)23-16-7-12-24(13-8-16)15-17-6-2-5-11-22-17/h2,5-6,11,16,18H,1,3-4,7-10,12-15H2,(H,23,26).
What are the key properties of 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide?
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 74230828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).