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

C22H31N5O2 — CID 155491863

IUPAC[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCC(N5CCCC5)CC4)CC3)nc2n1
InChIInChI=1S/C22H31N5O2/c1-16-4-5-19-20(23-16)24-22(29-19)27-12-6-17(7-13-27)21(28)26-14-8-18(9-15-26)25-10-2-3-11-25/h4-5,17-18H,2-3,6-15H2,1H3
InChIKeyRVWRLMSSIMPLGC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.83
Rot. Bonds3

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

[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 155491863) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID155491863
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCC(N5CCCC5)CC4)CC3)nc2n1
InChIInChI=1S/C22H31N5O2/c1-16-4-5-19-20(23-16)24-22(29-19)27-12-6-17(7-13-27)21(28)26-14-8-18(9-15-26)25-10-2-3-11-25/h4-5,17-18H,2-3,6-15H2,1H3
InChIKeyRVWRLMSSIMPLGC-UHFFFAOYSA-N
XLogP2.83
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
[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
1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
CID 155914374
[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
6-(6-methyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57400951
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154823090
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 58579675
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 154567726
N-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]acetamide
CID 46244801

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 155491863) is [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1ccc2oc(N3CCC(C(=O)N4CCC(N5CCCC5)CC4)CC3)nc2n1.
What is the InChIKey of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is RVWRLMSSIMPLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-4-5-19-20(23-16)24-22(29-19)27-12-6-17(7-13-27)21(28)26-14-8-18(9-15-26)25-10-2-3-11-25/h4-5,17-18H,2-3,6-15H2,1H3.
What are the key properties of [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 397.52 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155491863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).