(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H24N4O2 — CID 96557148

IUPAC(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O2/c21-15(19-11-13-4-9-22-10-5-13)14-3-1-8-20(12-14)16-17-6-2-7-18-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,19,21)/t14-/m1/s1
InChIKeyIRRRIBGAHDZUKT-CQSZACIVSA-N
MW304.39 g/mol
LogP1.24
Rot. Bonds4

About (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 96557148) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID96557148
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H24N4O2/c21-15(19-11-13-4-9-22-10-5-13)14-3-1-8-20(12-14)16-17-6-2-7-18-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,19,21)/t14-/m1/s1
InChIKeyIRRRIBGAHDZUKT-CQSZACIVSA-N
XLogP1.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034904
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94124298
(2R,3aS,7aS)-N-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366487
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 96557148) is (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCC1CCOCC1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is IRRRIBGAHDZUKT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(19-11-13-4-9-22-10-5-13)14-3-1-8-20(12-14)16-17-6-2-7-18-16/h2,6-7,13-14H,1,3-5,8-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 96557148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).