(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C18H27N3O3 — CID 56854189

IUPAC(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H]2CNC[C@H](C(=O)NCC3CCCO3)C2)cn1
InChIInChI=1S/C18H27N3O3/c1-13-4-5-17(10-20-13)24-12-14-7-15(9-19-8-14)18(22)21-11-16-3-2-6-23-16/h4-5,10,14-16,19H,2-3,6-9,11-12H2,1H3,(H,21,22)/t14-,15+,16?/m0/s1
InChIKeyCMAGUZDXTNCEFT-QMRHZFGWSA-N
MW333.43 g/mol
LogP1.29
Rot. Bonds6

About (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56854189) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56854189
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H]2CNC[C@H](C(=O)NCC3CCCO3)C2)cn1
InChIInChI=1S/C18H27N3O3/c1-13-4-5-17(10-20-13)24-12-14-7-15(9-19-8-14)18(22)21-11-16-3-2-6-23-16/h4-5,10,14-16,19H,2-3,6-9,11-12H2,1H3,(H,21,22)/t14-,15+,16?/m0/s1
InChIKeyCMAGUZDXTNCEFT-QMRHZFGWSA-N
XLogP1.29
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 56854189) is (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(OC[C@@H]2CNC[C@H](C(=O)NCC3CCCO3)C2)cn1.
What is the InChIKey of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CMAGUZDXTNCEFT-QMRHZFGWSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-4-5-17(10-20-13)24-12-14-7-15(9-19-8-14)18(22)21-11-16-3-2-6-23-16/h4-5,10,14-16,19H,2-3,6-9,11-12H2,1H3,(H,21,22)/t14-,15+,16?/m0/s1.
What are the key properties of (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56854189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).