(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

C22H30N4O — CID 95085824

IUPAC(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C22H30N4O/c1-2-3-4-8-13-23-21(27)19-12-9-14-26(17-19)22-24-15-20(16-25-22)18-10-6-5-7-11-18/h5-7,10-11,15-16,19H,2-4,8-9,12-14,17H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyXVIWLBYDEGRFST-LJQANCHMSA-N
MW366.51 g/mol
LogP4.06
Rot. Bonds8

About (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 95085824) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID95085824
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCCCCCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1
InChIInChI=1S/C22H30N4O/c1-2-3-4-8-13-23-21(27)19-12-9-14-26(17-19)22-24-15-20(16-25-22)18-10-6-5-7-11-18/h5-7,10-11,15-16,19H,2-4,8-9,12-14,17H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyXVIWLBYDEGRFST-LJQANCHMSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.06
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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Related Compounds

(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-hexylpiperidine-3-carboxamide
CID 93070695
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 95085920
N-butyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107070
(3R)-N-(2-methylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085826
N-[3-(dipropylamino)propyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107035
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085490
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 53106974
(3R)-N-[3-(dipropylamino)propyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085750

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide (CID 95085824) is (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is CCCCCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1.
What is the InChIKey of (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is XVIWLBYDEGRFST-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-3-4-8-13-23-21(27)19-12-9-14-26(17-19)22-24-15-20(16-25-22)18-10-6-5-7-11-18/h5-7,10-11,15-16,19H,2-4,8-9,12-14,17H2,1H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95085824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).