[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone

C19H26N4O3 — CID 154565637

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCCC(CO)C4)CC3)nc2n1
InChIInChI=1S/C19H26N4O3/c1-13-4-5-16-17(20-13)21-19(26-16)22-9-6-15(7-10-22)18(25)23-8-2-3-14(11-23)12-24/h4-5,14-15,24H,2-3,6-12H2,1H3
InChIKeyXMTMUHZYUVORTO-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.98
Rot. Bonds3

About [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone (PubChem CID 154565637) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
PubChem CID154565637
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCCC(CO)C4)CC3)nc2n1
InChIInChI=1S/C19H26N4O3/c1-13-4-5-16-17(20-13)21-19(26-16)22-9-6-15(7-10-22)18(25)23-8-2-3-14(11-23)12-24/h4-5,14-15,24H,2-3,6-12H2,1H3
InChIKeyXMTMUHZYUVORTO-UHFFFAOYSA-N
XLogP1.98
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
CID 155914374
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154823721
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154818169
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
CID 171778085
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone (CID 154565637) is [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone is Cc1ccc2oc(N3CCC(C(=O)N4CCCC(CO)C4)CC3)nc2n1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
The InChIKey is XMTMUHZYUVORTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-4-5-16-17(20-13)21-19(26-16)22-9-6-15(7-10-22)18(25)23-8-2-3-14(11-23)12-24/h4-5,14-15,24H,2-3,6-12H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 154565637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).