N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C17H23N5O2 — CID 165431568

IUPACN-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H23N5O2/c23-17(21-13-4-8-24-9-5-13)12-2-1-7-22(10-12)16-14-3-6-18-15(14)19-11-20-16/h3,6,11-13H,1-2,4-5,7-10H2,(H,21,23)(H,18,19,20)
InChIKeyDHLQPWQOILELPR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.47
Rot. Bonds3

About N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 165431568) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID165431568
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C17H23N5O2/c23-17(21-13-4-8-24-9-5-13)12-2-1-7-22(10-12)16-14-3-6-18-15(14)19-11-20-16/h3,6,11-13H,1-2,4-5,7-10H2,(H,21,23)(H,18,19,20)
InChIKeyDHLQPWQOILELPR-UHFFFAOYSA-N
XLogP1.47
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431316
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
2-(3,5-difluoroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 51001507
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
2-(2-chloroanilino)-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564702
2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-5-ol
CID 166278978
pyrrolidin-1-yl-[(3S)-1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95556169
oxolan-3-yl-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 57477347
3-N-cyclohexyl-1-N-(oxan-4-yl)piperidine-1,3-dicarboxamide
CID 71936022

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 165431568) is N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is DHLQPWQOILELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(21-13-4-8-24-9-5-13)12-2-1-7-22(10-12)16-14-3-6-18-15(14)19-11-20-16/h3,6,11-13H,1-2,4-5,7-10H2,(H,21,23)(H,18,19,20).
What are the key properties of N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165431568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).