1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C26H30N4O — CID 53062120

IUPAC1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2cc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ncn2)c1
InChIInChI=1S/C26H30N4O/c1-20-7-5-11-23(17-20)24-18-25(29-19-28-24)30-15-12-22(13-16-30)26(31)27-14-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,17-19,22H,6,10,12-16H2,1H3,(H,27,31)
InChIKeyAZOXMRXQQCRFEY-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.42
Rot. Bonds7

About 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 53062120) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID53062120
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCc1cccc(-c2cc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ncn2)c1
InChIInChI=1S/C26H30N4O/c1-20-7-5-11-23(17-20)24-18-25(29-19-28-24)30-15-12-22(13-16-30)26(31)27-14-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,17-19,22H,6,10,12-16H2,1H3,(H,27,31)
InChIKeyAZOXMRXQQCRFEY-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.42
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

N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
N-(3-methoxypropyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062063
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062124
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
N-(3,5-dimethoxyphenyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062099
N-butyl-N-ethyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062072
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 53062120) is 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is Cc1cccc(-c2cc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ncn2)c1.
What is the InChIKey of 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is AZOXMRXQQCRFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-20-7-5-11-23(17-20)24-18-25(29-19-28-24)30-15-12-22(13-16-30)26(31)27-14-6-10-21-8-3-2-4-9-21/h2-5,7-9,11,17-19,22H,6,10,12-16H2,1H3,(H,27,31).
What are the key properties of 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53062120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).