N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide

C15H23N5O2 — CID 126887116

IUPACN-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H23N5O2/c21-15(19-13-4-9-22-10-5-13)20-7-2-12(3-8-20)18-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2,(H,19,21)(H,16,17,18)
InChIKeyOSJGOYFQLWTAQP-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.24
Rot. Bonds3

About N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide

N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide (PubChem CID 126887116) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
PubChem CID126887116
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C15H23N5O2/c21-15(19-13-4-9-22-10-5-13)20-7-2-12(3-8-20)18-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2,(H,19,21)(H,16,17,18)
InChIKeyOSJGOYFQLWTAQP-UHFFFAOYSA-N
XLogP1.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126887440
N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126942500
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126887439
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide (CID 126887116) is N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide?
The InChIKey is OSJGOYFQLWTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-15(19-13-4-9-22-10-5-13)20-7-2-12(3-8-20)18-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2,(H,19,21)(H,16,17,18).
What are the key properties of N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide?
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.24, 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)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide is sourced from PubChem (CID 126887116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).