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

C22H30N4O2 — CID 53062132

IUPACN-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-28-14-4-11-23-22(27)19-9-12-26(13-10-19)21-15-20(24-16-25-21)18-7-5-17(2)6-8-18/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,23,27)
InChIKeyUOSNLQPNPALUNV-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.21
Rot. Bonds8

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

N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53062132) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53062132
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1
InChIInChI=1S/C22H30N4O2/c1-3-28-14-4-11-23-22(27)19-9-12-26(13-10-19)21-15-20(24-16-25-21)18-7-5-17(2)6-8-18/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,23,27)
InChIKeyUOSNLQPNPALUNV-UHFFFAOYSA-N
XLogP3.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507
N-(3-methoxypropyl)-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062063
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53062132) is N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is UOSNLQPNPALUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-28-14-4-11-23-22(27)19-9-12-26(13-10-19)21-15-20(24-16-25-21)18-7-5-17(2)6-8-18/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53062132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).