N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

C21H28N4O — CID 53107315

IUPACN-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-2-3-7-12-22-20(26)18-10-13-25(14-11-18)21-23-15-19(16-24-21)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,2-3,7,10-14H2,1H3,(H,22,26)
InChIKeyGEGIOLVCSGPLSY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.67
Rot. Bonds7

About N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide

N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53107315) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53107315
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-2-3-7-12-22-20(26)18-10-13-25(14-11-18)21-23-15-19(16-24-21)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,2-3,7,10-14H2,1H3,(H,22,26)
InChIKeyGEGIOLVCSGPLSY-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.67
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

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53107338
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
(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-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320
(3R)-1-(5-phenylpyrimidin-2-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 95085920

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53107315) is N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1.
What is the InChIKey of N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is GEGIOLVCSGPLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-3-7-12-22-20(26)18-10-13-25(14-11-18)21-23-15-19(16-24-21)17-8-5-4-6-9-17/h4-6,8-9,15-16,18H,2-3,7,10-14H2,1H3,(H,22,26).
What are the key properties of N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide?
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53107315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).