N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H26N4O2 — CID 100907382

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-12(2)14(11-21)19-15(22)13-5-9-20(10-6-13)16-17-7-4-8-18-16/h4,7-8,12-14,21H,3,5-6,9-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyOOAZCTUZQFKOPI-JSGCOSHPSA-N
MW306.41 g/mol
LogP1.22
Rot. Bonds6

About N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 100907382) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID100907382
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H26N4O2/c1-3-12(2)14(11-21)19-15(22)13-5-9-20(10-6-13)16-17-7-4-8-18-16/h4,7-8,12-14,21H,3,5-6,9-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyOOAZCTUZQFKOPI-JSGCOSHPSA-N
XLogP1.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
Tert-butyl 4-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 53501656
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 100907382) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is CC[C@H](C)[C@H](CO)NC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is OOAZCTUZQFKOPI-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-12(2)14(11-21)19-15(22)13-5-9-20(10-6-13)16-17-7-4-8-18-16/h4,7-8,12-14,21H,3,5-6,9-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 100907382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).