[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone

C19H27N3O2 — CID 95125713

IUPAC[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ncccc1OC1(C(=O)N2CC=C[C@H]2C(C)C)CCNCC1
InChIInChI=1S/C19H27N3O2/c1-14(2)16-6-5-13-22(16)18(23)19(8-11-20-12-9-19)24-17-7-4-10-21-15(17)3/h4-7,10,14,16,20H,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyKXWIXOSYFKXKJH-INIZCTEOSA-N
MW329.44 g/mol
LogP2.31
Rot. Bonds4

About [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone

[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 95125713) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID95125713
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ncccc1OC1(C(=O)N2CC=C[C@H]2C(C)C)CCNCC1
InChIInChI=1S/C19H27N3O2/c1-14(2)16-6-5-13-22(16)18(23)19(8-11-20-12-9-19)24-17-7-4-10-21-15(17)3/h4-7,10,14,16,20H,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyKXWIXOSYFKXKJH-INIZCTEOSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Asp-8477
CID 15950844
US11045457, Example 115
CID 146402382
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[3-(3-pyridinyloxy)propyl]acetamide
CID 24790546
1-(4-methylbenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790889
1-benzyl-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24793833
2-Phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone;hydrochloride
CID 90643557
2-Phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
N-[1-[4-[2-[5-(2-methylpropoxy)-2-pyridinyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 68191477
N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-[(2,6-dimethyl-3-pyridinyl)oxy]acetamide
CID 71239262
US10166214, Example 18
CID 86293510
US11045457, Example 116
CID 146402203
US11045457, Example 42
CID 146402385

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone (CID 95125713) is [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone is Cc1ncccc1OC1(C(=O)N2CC=C[C@H]2C(C)C)CCNCC1.
What is the InChIKey of [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is KXWIXOSYFKXKJH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)16-6-5-13-22(16)18(23)19(8-11-20-12-9-19)24-17-7-4-10-21-15(17)3/h4-7,10,14,16,20H,8-9,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
[4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-3-pyridinyl)oxy]piperidin-4-yl]-[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 95125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).