(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide

C16H26N4O — CID 51935919

IUPAC(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCCCN1c1ncccn1
InChIInChI=1S/C16H26N4O/c1-2-3-4-6-10-17-15(21)14-9-5-7-13-20(14)16-18-11-8-12-19-16/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyYZDGVRPUCDLHFJ-AWEZNQCLSA-N
MW290.41 g/mol
LogP2.53
Rot. Bonds7

About (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide

(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide (PubChem CID 51935919) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
PubChem CID51935919
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCCCN1c1ncccn1
InChIInChI=1S/C16H26N4O/c1-2-3-4-6-10-17-15(21)14-9-5-7-13-20(14)16-18-11-8-12-19-16/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyYZDGVRPUCDLHFJ-AWEZNQCLSA-N
XLogP2.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide (CID 51935919) is (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide is CCCCCCNC(=O)[C@@H]1CCCCN1c1ncccn1.
What is the InChIKey of (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The InChIKey is YZDGVRPUCDLHFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-3-4-6-10-17-15(21)14-9-5-7-13-20(14)16-18-11-8-12-19-16/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide?
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 51935919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).